SCHEMBL3537599

SCHEMBL3537599

CC1(C)CNCCN1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
TSHR P16473 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP3A4 P08684 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
MC4R P32245 1/20 0.40
GAA P10253 1/20 0.39
ELANE P08246 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
HTR3A P46098 1/20 0.38
ACHE P22303 1/20 0.38
CXCR4 P61073 1/20 0.38

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
SCHEMBL27664878 0.84 SIGMAR1 (0.49) SIGMAR1TSHRCYP2D6CYP3A4MEN1
SCHEMBL518379 0.84 ALDH1A1 (0.44) TSHRCYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL27494896 0.81 SIGMAR1 (0.56) SIGMAR1POLBHTR3A
SCHEMBL1126479 0.81 GAA (0.46) SIGMAR1MEN1KMT2AALDH1A1GAA
SCHEMBL5741182 0.81 SIGMAR1 (0.53) SIGMAR1TSHRCYP2D6CYP3A4MEN1
SCHEMBL27361294 0.80 SIGMAR1 (0.45) SIGMAR1TSHRCYP2D6CYP3A4MEN1
SCHEMBL1077100 0.80 SIGMAR1 (0.51) SIGMAR1TSHRCYP2D6CYP3A4MEN1
SCHEMBL15019738 0.79 SIGMAR1 (0.44) SIGMAR1TSHRCYP2D6CYP3A4MEN1
SCHEMBL6012435 0.78 SIGMAR1 (0.53) SIGMAR1TSHRCYP2D6CYP3A4MEN1
SCHEMBL28532613 0.77 SIGMAR1 (0.42) SIGMAR1TSHRCYP2D6CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2870140-B1 TETRAHYDROQUINAZOLINONE DERIVATIVES AS PARP INHIBITORS LUPIN LTD (IN) 2016-07-27 EP disclosed
EP-2870140-B1 TETRAHYDROQUINAZOLINONE DERIVATIVES AS PARP INHIBITORS LUPIN LTD (IN) 2016-07-27 EP disclosed
EP-2847191-B1 SUBSTITUTED 6-(4-HYDROXY-PHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE DERIVATIVES AS KINASE INHIBITORS SANOFI SA (FR) 2016-06-15 EP disclosed
US-9359367-B2 Tetrahydroquinazolinone derivatives as PARP inhibitors LUPIN LIMITED (IN) 2016-06-07 US disclosed
US-9359367-B2 Tetrahydroquinazolinone derivatives as PARP inhibitors LUPIN LIMITED (IN) 2016-06-07 US disclosed
US-9359367-B2 Tetrahydroquinazolinone derivatives as PARP inhibitors LUPIN LIMITED (IN) 2016-06-07 US disclosed
US-9133181-B2 Substituted 6-(4-hydroxy-phenyl)-1H-pyrazolo[3,4-b]pyridine derivatives as kinase inhibitors SANOFI (FR) 2015-09-15 US disclosed
US-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors LUPIN LIMITED (IN) 2015-06-04 US disclosed
US-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors LUPIN LIMITED (IN) 2015-06-04 US disclosed
US-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors LUPIN LIMITED (IN) 2015-06-04 US disclosed
US-20030195355-A1 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. 2003-10-16 US disclosed
EP-1341782-A2 INHIBITORS OF P38 KINASE Scios Inc. (US) 2003-09-10 EP disclosed
US-20030162970-A1 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. 2003-08-28 US disclosed
US-20030158417-A1 Benzofuran derivatives as inhibitors of p38-alpha kinase SCIOS, INC. 2003-08-21 US disclosed
US-20030144520-A1 Indole-type derivatives as inhibitors of p38 kinase MAVUNKEL BABU J (US) 2003-07-31 US disclosed
US-20030092717-A1 Inhibitors of p38 kinase SCIOS, INC. 2003-05-15 US disclosed
WO-2002042292-A2 INDOL DERIVATIVE AND THEIR USE AS INHIBITORS OF P38 KINASE SCIOS INC. (US) 2002-05-30 WO disclosed
CN-1351599-A Indole-type derivatives as inhibitors of P38 kinase SCOIS INC (US) 2002-05-29 CN disclosed
EP-1178983-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE Scios Inc. (US) 2002-02-13 EP disclosed
WO-2000071535-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. (US) 2000-11-30 WO 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 (6 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-20030144520-A1 Indole-type derivatives as inhibitors of p38 kinase CNKSR1, MAPK1, CSNK1A1 SIGMAR1 485/4885TSHR 1299/4885CYP2D6 374/4885
US-20030092717-A1 Inhibitors of p38 kinase MAPK1, CNKSR1, MOK SIGMAR1 550/4885TSHR 1626/4885CYP2D6 636/4885
US-20030158417-A1 Benzofuran derivatives as inhibitors of p38-alpha kinase CNKSR1, CSNK2A1, CSNK1A1 SIGMAR1 527/4885TSHR 2232/4885CYP2D6 378/4885
US-20030162970-A1 Indole-type derivatives as inhibitors of p38 kinase CNKSR1, MAPK1, CSNK1A1 SIGMAR1 485/4885TSHR 1299/4885CYP2D6 374/4885
US-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors PARP1, PARP11, PARP3 SIGMAR1 4110/4885TSHR 3307/4885CYP2D6 908/4885
US-20030195355-A1 Indole-type derivatives as inhibitors of p38 kinase CNKSR1, MAPK1, CSNK1A1 SIGMAR1 485/4885TSHR 1299/4885CYP2D6 374/4885

“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.