SCHEMBL5581987

SCHEMBL5581987

CNc1ncc2c(N3CCOCC3)ccc(OC)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.47
CDK4 P11802 2/20 0.47
CCNB1 P14635 2/20 0.47
CCND1 P24385 2/20 0.47
CCNE1 P24864 2/20 0.47
CDK2 P24941 2/20 0.47
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LRRK2 Q5S007 1/20 0.44
ADORA2A P29274 11/20 0.44
ADORA1 P30542 10/20 0.44
ADORA2B P29275 3/20 0.43
ADORA3 P0DMS8 1/20 0.43
INSR P06213 1/20 0.41
ALK Q9UM73 1/20 0.41
GAK O14976 1/20 0.41
IMPDH2 P12268 1/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5582174 0.88 CDK4 (0.44) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL5582188 0.78 MAPK1 (0.40) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL5581962 0.76 LRRK2 (0.41) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL5581805 0.72 NQO2 (0.43) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL5582111 0.71 CCNT1 (0.41) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL28514468 0.69 PRKDC (0.52) MAPK1MEN1KMT2A
SCHEMBL13362261 0.69 ADORA2A (0.61) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5582243 0.69 IDO1 (0.42) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL3648382 0.69 ADORA2A (0.50) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5582172 0.68 EGFR (0.36) CDK1CDK4CCNB1CCND1CCNE1

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 CDK1 2373/4885CDK4 2372/4885CCNB1 2677/4885

“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.