SCHEMBL2924949

SCHEMBL2924949

CCN(CC)c1cc(N)c(N)cc1C(=O)Nc1ccc2ncsc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.51
RAB9A P51151 11/20 0.51
KMT2A Q03164 9/20 0.51
MEN1 O00255 8/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAT2A P31153 1/20 0.47
KDM4E B2RXH2 4/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.44
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 2/20 0.43
IRAK4 Q9NWZ3 2/20 0.42
INSR P06213 1/20 0.42
CSF1R P07333 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
KDR P35968 1/20 0.42
TEK Q02763 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
SCHEMBL2933691 0.88 KMT2A (0.45) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2931928 0.75 KEAP1 (0.47) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4415178 0.74 NPC1 (0.51) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL411193 0.73 RAB9A (0.57) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2928679 0.73 KDR (0.50) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2932783 0.73 HPGD (0.54) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL3169599 0.73 NPC1 (0.49) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL8863163 0.71 LDHA (0.57) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL25854530 0.71 NPC1 (0.55) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3174439 0.71 GRM4 (0.57) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
EP-1987028-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-05 EP disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US disclosed
WO-2007095124-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-23 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 (2 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-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB NPC1 653/4885RAB9A 3858/4885KMT2A 948/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB NPC1 653/4885RAB9A 3858/4885KMT2A 948/4885

“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.