SCHEMBL1901229

SCHEMBL1901229

COc1cc(-c2cnn(C)c2)cn2ncc(C(=O)Nc3cccnc3)c12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.57
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 1/20 0.53
MCL1 Q07820 1/20 0.51
POLB P06746 1/20 0.49
NAMPT P43490 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 1/20 0.45
IKBKE Q14164 1/20 0.45
TBK1 Q9UHD2 1/20 0.45
AXL P30530 1/20 0.43

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
SCHEMBL1905270 0.89 IKBKE (0.57) LRRK2SMN1; SMN2ALDH1A1IKBKETBK1
SCHEMBL1908200 0.87 KDM1A (0.46) LRRK2SMN1; SMN2HTTALDH1A1IKBKE
SCHEMBL12394624 0.85 MEN1 (0.47) LRRK2NPC1RAB9AMAPTPOLB
SCHEMBL2352784 0.85 ALDH1A1 (0.47) LRRK2NPC1RAB9AALDH1A1IKBKE
SCHEMBL20290828 0.85 LRRK2 (0.67) LRRK2NPC1RAB9AMAPTKDM4E
SCHEMBL1902267 0.84 RECQL (0.58) LRRK2MAPTKDM4ETSHRGAA
SCHEMBL1908129 0.82 TTK (0.46)
SCHEMBL1899029 0.81 ALK (0.43) LRRK2MAPT
SCHEMBL1907389 0.81 IRAK4 (0.42) LRRK2IKBKETBK1
SCHEMBL2352407 0.80 IRAK4 (0.42) IKBKETBK1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346335-B1 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2018-11-14 EP claimed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US claimed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US claimed
EP-2346335-B1 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2018-11-14 EP disclosed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
EP-2320907-A1 THERAPEUTIC COMPOUNDS Merck & Co., Inc. (US) 2011-05-18 EP disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 WO disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 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 (1 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-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 LRRK2 129/4885NPC1 1378/4885RAB9A 2116/4885

“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.