SCHEMBL6119366

SCHEMBL6119366

CSc1cc2nc[nH]c(=O)c2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 8/20 0.58
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 1/20 0.51
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 1/20 0.49
PARP1 P09874 7/20 0.45
CHEK1 O14757 2/20 0.39
PIM1 P11309 2/20 0.39
RPS6KA3 P51812 1/20 0.39
ACVR1 Q04771 1/20 0.37
CYP1A2 P05177 1/20 0.36
TMIGD3 P0DMS9 1/20 0.36
CYP2C9 P11712 1/20 0.36
ADORA1 P30542 1/20 0.36
IP6K1 Q92551 1/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL16256173 0.77 PDPK1 (0.63) PDPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL16384767 0.74 PDPK1 (0.58) PDPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10565996 0.74 PDPK1 (0.58) PDPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4212348 0.74 NPC1 (0.60) PDPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8819138 0.70 PDPK1 (0.54) PDPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL15305910 0.70 PDPK1 (0.54) PDPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17268781 0.69 RAB9A (0.74) PDPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3936506 0.68 RAB9A (1.00) PDPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4726461 0.68 RAB9A (0.78) PDPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL19687744 0.67 PDPK1 (0.54) PDPK1NPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640392-B1 SUBSTITUTED 4-(SELENOPHEN-2(OR 3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LTD (IN) 2015-01-07 EP disclosed
US-8815879-B2 Substituted 4-(selenophen-2(or-3)-ylamino)pyrimidine compounds and methods of use thereof KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (US) 2014-08-26 US disclosed
US-8815879-B2 Substituted 4-(selenophen-2(or-3)-ylamino)pyrimidine compounds and methods of use thereof KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (US) 2014-08-26 US disclosed
US-20130266563-A1 SUBSTITUTED 4-(SELENOPHEN-2(OR-3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2013-10-10 US disclosed
US-20130266563-A1 SUBSTITUTED 4-(SELENOPHEN-2(OR-3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2013-10-10 US disclosed
EP-2640392-A2 SUBSTITUTED 4-(SELENOPHEN-2(OR 3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Kasina Laila Innova Pharmaceuticals Private Ltd. (IN) 2013-09-25 EP disclosed
WO-2012066578-A2 SUBSTITUTED 4-(SELENOPHEN-2(OR 3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2012-05-24 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-20130266563-A1 SUBSTITUTED 4-(SELENOPHEN-2(OR-3)-YLAMINO)PYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF RPS6, SULT1E1, SCLY PDPK1 4366/4885NPC1 3358/4885RAB9A 4454/4885

“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.