SCHEMBL4849258

SCHEMBL4849258

Cc1cn(-c2nc(C)n[c]c2Cl)cn1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CYP2E1 P05181 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GRM5 P41594 1/20 0.31
GRM1 Q13255 1/20 0.31
NR2E1 Q9Y466 1/20 0.31
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL16200110 0.65 PDE3B (0.37) PDE3BPDE3ACYP2E1CYP2A6CYP1A2
SCHEMBL1368375 0.63 NR2E1 (0.47) CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6
SCHEMBL10444945 0.63 PDE3B (0.39) PDE3BPDE3ACYP2E1CYP2A6CYP1A2
SCHEMBL13683029 0.63 PDE3B (0.36) PDE3BPDE3ACYP2E1CYP2A6CYP1A2
SCHEMBL16914399 0.61 NR2E1 (0.42) PDE3BPDE3ACYP2E1CYP2A6CYP1A2
SCHEMBL25187570 0.61 HTT (0.49) CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6
SCHEMBL19272800 0.61 CYP1A2 (0.56) CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6
SCHEMBL22199031 0.60 KDM4E (0.48) CYP2E1CYP2A6CYP1A2CYP3A4CYP2D6
SCHEMBL12918513 0.60 CYP2E1 (0.42) PDE3BPDE3ACYP2E1CYP2A6CYP1A2
SCHEMBL14932367 0.59 PSEN1 (0.44) PDE3BPDE3ACYP2E1CYP2A6CYP1A2

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-7414059-B2 Pyrazolyl and imidazolyl pyrimidines as CRF antagonists ROCHE PALO ALTO LLC (US) 2008-08-19 US disclosed
US-20050113382-A1 Spiro tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists ROCHE PALO ALTO LLC 2005-05-26 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-20050113382-A1 Spiro tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists AVPR2, CRHR1, CRHR2 PDE3B 408/4885PDE3A 332/4885CYP2E1 658/4885

“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.