SCHEMBL395374

SCHEMBL395374

Nc1cccc2[nH]n[c]c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.33
CYP3A4 P08684 4/20 0.33
PDPK1 O15530 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 3/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AXL P30530 2/20 0.32
PSMB8 P28062 1/20 0.32
HPGD P15428 3/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
PIK3CA P42336 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL558333 0.75 FFAR1 (0.32) GAAL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL1856006 0.75 MAPK1 (0.38) GAAHPGDTSHRALDH1A1SMN1; SMN2
SCHEMBL558395 0.75 NOS1 (0.42) GAAKDM4EMAPTKMT2APSMB8
SCHEMBL7258404 0.71 GABRA1 (0.38) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL558190 0.71 AXL (0.47) KDM4EAXLHSD17B10SMN1; SMN2NPSR1
SCHEMBL8773802 0.69 KDM4E (0.37) GAACYP3A4PDPK1KDM4ETDP1
SCHEMBL647458 0.68 NOS1 (0.50) GAACYP3A4KDM4ETDP1POLB
SCHEMBL3079936 0.67 BCHE (0.40) GAACYP3A4KDM4ETDP1MAPT
SCHEMBL6784301 0.66
SCHEMBL2557 0.66

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4712702-B2 2011-06-29 JP claimed
US-7238701-B2 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2007-07-03 US claimed
US-20060293322-A1 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-12-28 US claimed
EP-1651652-B1 SUBSTITUTED TETRAHYDROBENZOTHIENOPYRIMIDINAMINE COMPOUNDS USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORP (US) 2006-12-27 EP claimed
EP-1651652-A1 SUBSTITUTED TETRAHYDROBENZOTHIENOPYRIMIDINAMINE COMPOUNDS USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2006-05-03 EP claimed
WO-2005010008-A1 SUBSTITUTED TETRAHYDROBENZOTHIENOPYRIMIDINAMINE COMPOUNDS USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-02-03 WO claimed
US-10173985-B2 Aminoindazole derivatives as sodium channel inhibitors ALMIRALL, S.A. (ES) 2019-01-08 US disclosed
US-10173985-B2 Aminoindazole derivatives as sodium channel inhibitors ALMIRALL, S.A. (ES) 2019-01-08 US disclosed
US-10112936-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-10-30 US disclosed
US-20180244626-A1 AMINOINDAZOLE DERIVATIVES AS SODIUM CHANNEL INHIBITORS ALMIRALL, S.A. (ES) 2018-08-30 US disclosed
US-20180244626-A1 AMINOINDAZOLE DERIVATIVES AS SODIUM CHANNEL INHIBITORS ALMIRALL, S.A. (ES) 2018-08-30 US disclosed
US-20180105509-A1 AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS ALMIRALL, S.A. (ES) 2018-04-19 US disclosed
EP-3286178-A1 AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS Almirall S.A. (ES) 2018-02-28 EP disclosed
US-20050282805-A1 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY 2005-12-22 US disclosed
WO-2005010008-A1 SUBSTITUTED TETRAHYDROBENZOTHIENOPYRIMIDINAMINE COMPOUNDS USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-02-03 WO disclosed
US-20030175935-A1 Method of identifying inhibitors of Lck ABBVIE INC. 2003-09-18 US disclosed
WO-2003020880-A2 METHOD OF IDENTIFYING INHIBITORS OF LCK ABBOTT LABORATORIES (US) 2003-03-13 WO disclosed
US-6452000-B2 ALKYLATION; ACYLATION; CYCLIZATION; IMINATION; USEFUL AS HIV PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-17 US disclosed
US-20010020093-A1 Preparation of asymmetric cyclic ureas through a monoacylated diamine intermeidate BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-09-06 US disclosed
US-6218534-B1 Preparation of asymmetric cyclic ureas through a monoacylated diamine intermediate DUPONT PHARMACEUTICALS COMPANY 2001-04-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10112936-B2 Five-membered heterocycles useful as serine protease inhibitors F12, F11, F5 GAA 2659/4885CYP3A4 742/4885PDPK1 2713/4885
US-20180105509-A1 AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS SCN7A, SCN1A, SCN1B GAA 3148/4885CYP3A4 2632/4885PDPK1 1719/4885
US-20010020093-A1 Preparation of asymmetric cyclic ureas through a monoacylated diamine intermeidate IMPDH1, IDE, DIMT1 GAA 1170/4885CYP3A4 760/4885PDPK1 2255/4885
US-20030175935-A1 Method of identifying inhibitors of Lck LCK, FYN, ZAP70 GAA 1939/4885CYP3A4 4262/4885PDPK1 884/4885
US-20180244626-A1 AMINOINDAZOLE DERIVATIVES AS SODIUM CHANNEL INHIBITORS SCN1B, SCN1A, SCN3A GAA 3772/4885CYP3A4 1566/4885PDPK1 575/4885
US-10173985-B2 Aminoindazole derivatives as sodium channel inhibitors SCN1B, SCN1A, SCN3A GAA 3892/4885CYP3A4 1429/4885PDPK1 592/4885
US-20050282805-A1 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide F11, TFPI, F12 GAA 3498/4885CYP3A4 692/4885PDPK1 3591/4885
US-20060293322-A1 Substituted tetrahydrobenzothienopyrimidinamine compounds useful for treating hyper-proliferative disorders MKI67, PCNA, MYC GAA 952/4885CYP3A4 4298/4885PDPK1 1713/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.