SCHEMBL1328769

SCHEMBL1328769

COc1ccc(CNC(=O)Cc2ccccc2C#Cc2ccnc3[nH]ccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RET P07949 1/20 0.46
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTPN1 P18031 1/20 0.45
ALDH1A1 P00352 6/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
KCNK3 O14649 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL1328094 0.88 SMN1; SMN2 (0.48) NPC1SMN1; SMN2KDM4EMEN1CYP2C9
SCHEMBL1327519 0.84 KMT2A (0.49) NPC1HTTSMN1; SMN2KDM4EMEN1
SCHEMBL12127446 0.83 NPC1 (0.52) NPC1RETHTTSMN1; SMN2KDM4E
SCHEMBL1329344 0.79 ANO1 (0.41) RETSMN1; SMN2KDM4ECYP2C9CYP2C19
SCHEMBL1328116 0.78 NUDT1 (0.44) RETKDM4EMAPTCIT
SCHEMBL27847620 0.78 NUDT1 (0.38) NPC1RETSMN1; SMN2RAB9A
SCHEMBL1327513 0.77 NUDT1 (0.37) RETCIT
SCHEMBL1327987 0.76 PTK2 (0.43) RETCIT
SCHEMBL1327972 0.76 IKBKB (0.47) RETCIT
SCHEMBL1328693 0.75 JAK1 (0.41) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US claimed
CN-101918079-A Protein kinase inhibitors and use thereof MERCK SERONO SA 2010-12-15 CN claimed
EP-2231282-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-09-29 EP claimed
WO-2009094123-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-07-30 WO claimed
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US disclosed
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US disclosed
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US disclosed
CN-101918079-A Protein kinase inhibitors and use thereof MERCK SERONO SA 2010-12-15 CN 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-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP3K19, MAP3K20, MAP3K1 NPC1 3507/4885RET 332/4885HTT 4752/4885

“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.