SCHEMBL4853462

SCHEMBL4853462

Cc1cn(-c2nc(C)nc(Nc3c(Cl)cc(Cl)cc3Cl)c2Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.42
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32

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
SCHEMBL4846780 0.76 CRHR1 (0.40) CRHR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4856831 0.75 CRHR1 (0.42) CRHR1MEN1NR1I2GMNNLMNA
SCHEMBL4855592 0.73 CRHR1 (0.43) CRHR1MEN1NR1I2GMNNLMNA
SCHEMBL10444945 0.68 PDE3B (0.39) MEN1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL4846736 0.67 CRHR1 (0.46) CRHR1MEN1NR1I2GMNNLMNA
SCHEMBL13224632 0.65 APEX1 (0.43) CRHR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12298407 0.65 PSEN1 (0.60) MEN1LMNACYP3A4KMT2APSEN1
Hydrochloric Acid SCHEMBL31091222 0.63 CRHR1 (0.57) CRHR1MEN1NR1I2GMNNLMNA
SCHEMBL4849258 0.62 PDE3B (0.35) CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4848082 0.61 TP53 (0.49) CRHR1LMNATSHRKMT2A

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-7414059-B2 Pyrazolyl and imidazolyl pyrimidines as CRF antagonists ROCHE PALO ALTO LLC (US) 2008-08-19 US disclosed
US-7414059-B2 Pyrazolyl and imidazolyl pyrimidines as CRF antagonists ROCHE PALO ALTO LLC (US) 2008-08-19 US disclosed
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 CRHR1 2/4885MEN1 648/4885NR1I2 49/4885

“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.