SCHEMBL5582243

SCHEMBL5582243

CNc1ncc2c(-c3ccccc3)ccc(OC)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
TDO2 P48775 2/20 0.42
CDK1 P06493 2/20 0.41
CDK4 P11802 2/20 0.41
CCNB1 P14635 2/20 0.41
CCND1 P24385 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
AAK1 Q2M2I8 1/20 0.40
NPC1 O15118 1/20 0.40
ACACA Q13085 1/20 0.39
IMPDH2 P12268 2/20 0.39
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
EGFR P00533 1/20 0.39
KMT2A Q03164 1/20 0.38
NQO2 P16083 1/20 0.38
MERTK Q12866 2/20 0.38
AXL P30530 1/20 0.38

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
SCHEMBL5582341 0.88 PDE4D (0.45) NPC1KMT2AKIT
SCHEMBL5582139 0.87 NPC1 (0.54) NPC1KITADORA2A
SCHEMBL5581786 0.87 ALDH1A1 (0.41) CDK2TNKSTNKS2PARP2EGFR
SCHEMBL5582151 0.85 KIT (0.47) MERTKKIT
SCHEMBL5582307 0.85 PDE4B (0.41) NPC1ADORA1
SCHEMBL5582236 0.83 LRRK2 (0.43) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL5582209 0.83 PTK2 (0.46) NPC1KMT2AMERTKAXLTYRO3
SCHEMBL5582334 0.83 ALDH1A1 (0.40) KITADORA1
SCHEMBL5582146 0.82 JAK3 (0.43)
SCHEMBL5582253 0.82 KIT (0.49) AAK1EGFRKMT2AKITADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225308-A1 2-Amino Quinazoline Derivative KYOWA HAKKO KOGYO CO.,LTD. (JP) 2007-09-27 US disclosed
EP-1726584-A1 2-AMINOQUINAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-29 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 (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-20070225308-A1 2-Amino Quinazoline Derivative AGTR2, ABL1, AGTR1 IDO1 386/4885TDO2 938/4885CDK1 2373/4885

“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.