SCHEMBL3977348

SCHEMBL3977348

COc1ccc(Cn2c(=O)c3cnc(-n4ccnc4)nc3n(C(C)C)c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 6/20 0.45
PDE1A P54750 4/20 0.45
PDE1C Q14123 4/20 0.45
MAPT P10636 5/20 0.42
THRB P10828 1/20 0.42
NOS2 P35228 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
PDE5A O76074 2/20 0.39
TBXAS1 P24557 2/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
GABRA5 P31644 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP19A1 P11511 1/20 0.39
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
ALOX12 P18054 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
SCHEMBL3965253 0.72 CDK4 (0.62)
SCHEMBL3971155 0.70 EGFR (0.65)
SCHEMBL7849156 0.67 CYP19A1 (0.38) PDE1BPDE1APDE1CMAPTTHRB
SCHEMBL34462130 0.65 PDE1B (0.46) PDE1BPDE1APDE1CMAPTTHRB
SCHEMBL20564907 0.64 KDM4E (0.41) NOS2PDE5ATBXAS1PDE3BPDE3A
SCHEMBL15170557 0.63 PDE1B (0.46) PDE1BPDE1APDE1CMAPTTHRB
SCHEMBL16274713 0.63 MAPT (0.47) PDE1BMAPTTHRBADORA3GABRA5
SCHEMBL10055331 0.63 P2RX3 (0.82)
SCHEMBL28723086 0.63 PDE5A (0.43) THRBNOS2ADORA3PDE5ATBXAS1
SCHEMBL12046448 0.63 P2RX3 (0.84)

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-7501425-B1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyprimidines as inhibitors of cellular proliferation WARNER LAMBERT COMPANY (US) 2009-03-10 US disclosed
EP-1080092-B1 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2008-07-23 EP disclosed
EP-1801112-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-06-27 EP disclosed
US-20040044012-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation DOBRUSIN ELLEN MYRA (US) 2004-03-04 US 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-20040044012-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation CCNI, CCNH, CCNA1 PDE1B 2622/4885PDE1A 3311/4885PDE1C 3298/4885

“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.