SCHEMBL12423174

SCHEMBL12423174

Cc1nc2cc(Nc3nccc(-c4ccc(Br)s4)n3)ccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
NPC1 O15118 1/20 0.51
CASP3 P42574 1/20 0.51
RAB9A P51151 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
IKBKB O14920 2/20 0.46
DKK1 O94907 1/20 0.46
GSK3B P49841 1/20 0.46
CDK2 P24941 14/20 0.46
CDK4 P11802 11/20 0.46
AURKA O14965 3/20 0.46
CDK1 P06493 3/20 0.46
CDK7 P50613 3/20 0.46
CDK9 P50750 3/20 0.46
AURKB Q96GD4 2/20 0.46
PLK1 P53350 1/20 0.45
CCNE1 P24864 1/20 0.43
CHUK O15111 1/20 0.43
IKBKG Q9Y6K9 1/20 0.43
PIK3CA P42336 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
SCHEMBL12423159 0.83 IKBKB (0.49) IKBKBDKK1GSK3BCDK2CDK4
SCHEMBL12423171 0.81 IKBKB (0.55) IKBKBDKK1GSK3BCDK2CDK4
SCHEMBL12423148 0.80 ZAP70 (0.61) IKBKBDKK1GSK3BCDK2CDK4
SCHEMBL12423167 0.80 PIK3CG (0.66) IKBKBCDK2CDK4CDK1CDK7
SCHEMBL14378943 0.79 CDK2 (0.67) KMT2ACDK2CDK4AURKACDK1
SCHEMBL12423169 0.78 CDK2 (0.53) IKBKBDKK1GSK3BCDK2CDK4
SCHEMBL12423172 0.77 PIK3CG (0.52) IKBKBCDK2CDK4CDK1CDK7
SCHEMBL8139970 0.76 KMT2A (0.50) KMT2AIKBKBCDK2CDK4AURKA
SCHEMBL12423166 0.76 SYK (0.58) KMT2ANPC1RAB9AIKBKBDKK1
SCHEMBL12423136 0.76 CDK2 (0.50) IKBKBDKK1GSK3BCDK2CDK4

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-7977481-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-7977481-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators ARNOLD WILLIAM D 2010-12-02 US disclosed
US-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators ARNOLD WILLIAM D 2010-12-02 US disclosed
US-7803806-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-09-28 US disclosed
US-7803806-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-09-28 US disclosed
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 US disclosed
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 US 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-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators MAP3K20, MAP3K6, MAP4K2 KMT2A 1050/4885NPC1 2886/4885CASP3 3448/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 KMT2A 1050/4885NPC1 2886/4885CASP3 3448/4885

“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.