SCHEMBL17653165

SCHEMBL17653165

CNc1nc(CCC(C)C)nc2ccc(Br)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.43
HTT P42858 4/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RXFP1 Q9HBX9 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.38
DPP4 P27487 1/20 0.38
TRIM58 Q8NG06 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
PRNP P04156 1/20 0.35
TSHR P16473 1/20 0.35
MAPK10 P53779 1/20 0.35

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
SCHEMBL17653177 0.82 AAK1 (0.44) AAK1HTTLMNASMN1; SMN2RXFP1
SCHEMBL17653201 0.82 AAK1 (0.40) AAK1SMN1; SMN2MAPTTRIM58ALDH1A1
SCHEMBL17653415 0.82 AAK1 (0.40) AAK1TRIM58
SCHEMBL17653112 0.81 FLT3 (0.52) NQO2
SCHEMBL17653336 0.80 AAK1 (0.43) AAK1HTTLMNASMN1; SMN2RXFP1
SCHEMBL17653174 0.80 PDE10A (0.44) AAK1HTTLMNASMN1; SMN2RXFP1
SCHEMBL17653358 0.80 AAK1 (0.45) AAK1HTTLMNASMN1; SMN2RXFP1
SCHEMBL17653194 0.78 DHODH (0.43) AAK1HTTSMN1; SMN2RXFP1MAPT
SCHEMBL17653132 0.77 L3MBTL1 (0.48) AAK1HTTSMN1; SMN2RXFP1ALDH1A1
SCHEMBL17653241 0.76 RXFP1 (0.41) AAK1HTTSMN1; SMN2RXFP1MAPT

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-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-24 US disclosed
US-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-24 US disclosed
US-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-24 US disclosed
EP-3200797-A1 QUINAZOLINE-BASED KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2017-08-09 EP disclosed
WO-2016053794-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-07 WO disclosed
WO-2016053794-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-07 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-20170239249-A1 QUINAZOLINE-BASED KINASE INHIBITORS AAK1, ULK1, NCK1 AAK1 1/4885HTT 3291/4885LMNA 3333/4885

“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.