SCHEMBL3195014

SCHEMBL3195014

COc1ccc(C(=O)Nc2cc[c]cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.77
NPC1 O15118 11/20 0.77
SMN1; SMN2 Q16637 6/20 0.77
TP53 P04637 5/20 0.77
ALOX15 P16050 1/20 0.77
ALDH1A1 P00352 5/20 0.66
KMT2A Q03164 5/20 0.66
CYP1A2 P05177 2/20 0.66
MEN1 O00255 2/20 0.66
CYP3A4 P08684 1/20 0.66
GAA P10253 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
KDM4E B2RXH2 1/20 0.63
PKM P14618 1/20 0.60
KCNK9 Q9NPC2 1/20 0.59
F10 P00742 1/20 0.58
LMNA P02545 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL483328 0.93 RAB9A (0.77) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL6799157 0.88 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL30341896 0.83 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL2919439 0.83 RAB9A (0.87) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL22192206 0.83 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8770881 0.83 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8769709 0.83 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL6361263 0.83 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL7304276 0.82 NPC1 (0.81) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL7301192 0.82 NPC1 (0.81) RAB9ANPC1SMN1; SMN2TP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237407-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2017-11-01 EP claimed
US-9730914-B2 3,5-diaminopyrazole kinase inhibitors Axikin Pharmaceuticals (US) 2017-08-15 US claimed
US-20170087131-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2017-03-30 US claimed
US-9546163-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2017-01-17 US claimed
WO-2016106309-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2016-06-30 WO claimed
US-20160176857-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2016-06-23 US claimed
CN-100534990-C Pyrrolidone carboxamides ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 CN claimed
US-20050192292-A1 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2005-09-01 US claimed
CN-1610678-A Pyrrolidone carboxamides ACTELION PHARMACEUTICALS LTD (CH) 2005-04-27 CN claimed
EP-1463724-A1 PYRROLIDONE CARBOXAMIDES Actelion Pharmaceuticals Ltd. (CH) 2004-10-06 EP claimed
WO-2003059905-A1 PYRROLIDONE CARBOXAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2003-07-24 WO claimed
CN-107250116-B 3, 5-diaminopyrazole kinase inhibitors 艾士盟医疗公司 2020-10-27 CN disclosed
EP-3237407-B1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS SMA THERAPEUTICS INC (US) 2020-04-15 EP disclosed
EP-3237407-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2017-11-01 EP disclosed
US-9730914-B2 3,5-diaminopyrazole kinase inhibitors Axikin Pharmaceuticals (US) 2017-08-15 US disclosed
EP-1463724-A1 PYRROLIDONE CARBOXAMIDES Actelion Pharmaceuticals Ltd. (CH) 2004-10-06 EP disclosed
WO-2003059905-A1 PYRROLIDONE CARBOXAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2003-07-24 WO disclosed
US-6469003-B1 COMPOUNDS HAVING CELL ADHESION INHIBITING ACTIVITY NIHON NOHYAKU CO., LTD. (JP) 2002-10-22 US disclosed
CN-1323297-A Pyridazinone derivatives NIHON NOHYAKU CO LTD (JP) 2001-11-21 CN disclosed
EP-1130015-A1 PYRIDAZINONE DERIVATIVES Nihon Nohyaku Co., Ltd. (JP) 2001-09-05 EP 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 (3 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-20170087131-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, PRKAG3 RAB9A 2122/4885NPC1 2748/4885SMN1; SMN2 3916/4885
US-20160176857-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, PRKAG3 RAB9A 2122/4885NPC1 2748/4885SMN1; SMN2 3916/4885
US-20050192292-A1 Pyrrolidone carboxamides NPY1R, NPY5R, NPY2R RAB9A 3133/4885NPC1 4071/4885SMN1; SMN2 3678/4885

“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.