SCHEMBL20447282

SCHEMBL20447282

Cc1nc(-c2ccnc(NC(=O)O)n2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.43
CDK2 P24941 5/20 0.41
CDK4 P11802 4/20 0.41
CCNE1 P24864 3/20 0.41
GSK3B P49841 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
TGFBR1 P36897 6/20 0.40
MAPK14 Q16539 3/20 0.40
TGFBR2 P37173 2/20 0.40
TGFB2 P61812 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL21508497 0.87 AAK1 (0.56) AAK1CDK2CDK4CCNE1TGFBR1
SCHEMBL20446948 0.82 AAK1 (0.46) AAK1CDK2CDK4CCNE1GSK3B
SCHEMBL20446821 0.82 AAK1 (0.46) AAK1CDK2CDK4CCNE1GSK3B
SCHEMBL27220588 0.76 TGFBR1 (0.49) AAK1GSK3BTGFBR1MAPK14TGFBR2
SCHEMBL28478612 0.74 TGFBR1 (0.39) TGFBR1MAPK14TGFBR2TGFB2KMO
SCHEMBL20447113 0.74 AAK1 (0.45) AAK1CDK2TGFBR1MAPK14NPC1
SCHEMBL20446929 0.73 AAK1 (0.45) AAK1CAMKK2MAPK14NPC1RAB9A
SCHEMBL20447425 0.72 AAK1 (0.46) AAK1GSK3BCAMKK2MAPK14NPC1
SCHEMBL15881328 0.72 L3MBTL1 (0.55) NPC1RAB9APOLBKMT2ASMN1; SMN2
SCHEMBL21628171 0.72 AAK1 (0.57) AAK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544120-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 US disclosed
EP-3356340-B1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-23 EP disclosed
US-20180346440-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-12-06 US disclosed
EP-3356340-A1 BIARYL KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2018-08-08 EP 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-20180346440-A1 BIARYL KINASE INHIBITORS AAK1, CAMKK1, CAMKK2 AAK1 1/4885CDK2 625/4885CDK4 1884/4885
US-10544120-B2 Biaryl kinase inhibitors AAK1, CAMKK1, CAMKK2 AAK1 1/4885CDK2 625/4885CDK4 1884/4885

“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.