SCHEMBL4848082

SCHEMBL4848082

Cc1nc(Nc2c(Cl)cc(Cl)cc2Cl)cc(-n2cnc(-c3ccccc3)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.49
MAPT P10636 5/20 0.49
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.39
FTO Q9C0B1 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NLRP3 Q96P20 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CRHR1 P34998 1/20 0.36
AGPAT2 O15120 1/20 0.36
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
SRC P12931 1/20 0.34
CNR1 P21554 1/20 0.33
PDPK1 O15530 1/20 0.33

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 0.83 CRHR1 (0.40) TP53MAPTCRHR1SRC
SCHEMBL4852355 0.69 CRHR1 (0.40) CRHR1SRC
SCHEMBL4855605 0.69 MAPT (0.41) TP53MAPTLMNAKMT2ANPC1
SCHEMBL4855812 0.69 TSHR (0.46) LMNAKMT2AFTOTSHRHSD17B10
SCHEMBL4857708 0.68 CRHR1 (0.49) TP53MAPTLMNAPOLBKMT2A
SCHEMBL4846763 0.67 SLC34A1 (0.46) CRHR1
SCHEMBL4853755 0.64 CRHR1 (0.43) TP53MAPTLMNAPOLBKMT2A
SCHEMBL4853462 0.61 CRHR1 (0.42) LMNAKMT2ATSHRCRHR1
SCHEMBL15034499 0.61 NPC1 (0.71) TP53MAPTLMNAKMT2ANPC1
SCHEMBL28147149 0.61 NPC1 (0.61) TP53MAPTLMNAKMT2ANPC1

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 TP53 4559/4885MAPT 3393/4885LMNA 3003/4885

“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.