SCHEMBL5582174

SCHEMBL5582174

CNc1ncc2c(N3CCCCC3)ccc(OC)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.44
CCND1 P24385 6/20 0.44
CDK2 P24941 4/20 0.44
CCNE1 P24864 3/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
HTT P42858 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 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
SCHEMBL5581987 0.88 CDK1 (0.47) CDK4CCND1CDK2CCNE1SMN1; SMN2
SCHEMBL5582012 0.77 MAPT (0.34) CDK4CCND1CDK2CCNE1ALDH1A1
SCHEMBL5581664 0.75 CDK4 (0.46) CDK4CCND1CDK2CCNE1ALDH1A1
SCHEMBL5581805 0.74 NQO2 (0.43) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL5582243 0.73 IDO1 (0.42) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL5582088 0.72 PSMB5 (0.41) CDK4CCND1CDK2CCNE1ALDH1A1
SCHEMBL5582341 0.72 PDE4D (0.45) ALDH1A1HPGDALOX15MAPTTTK
SCHEMBL5581786 0.71 ALDH1A1 (0.41) CDK2ALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL22634369 0.70 ALDH1A1 (0.47) CDK4CCND1CDK2CCNE1ALDH1A1
SCHEMBL5582334 0.70 ALDH1A1 (0.40) ALDH1A1ADORA1

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 CDK4 2372/4885CCND1 2892/4885CDK2 771/4885

“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.