SCHEMBL4853755

SCHEMBL4853755

CCCc1ccn(-c2cc(Nc3c(Cl)cc(Cl)cc3Cl)nc(C)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.43
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
NR1I2 O75469 1/20 0.34
GMNN O75496 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
KDM5A P29375 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM5B Q9UGL1 2/20 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
SCHEMBL4855605 0.83 MAPT (0.41) CRHR1LMNAMEN1NR1I2GMNN
SCHEMBL4852680 0.79 CRHR1 (0.50) CRHR1LMNAMEN1NR1I2GMNN
SCHEMBL4853995 0.78 ALDH1A1 (0.42) CRHR1LMNAMAPK1NPSR1KDM5A
SCHEMBL19700421 0.72 CRHR1 (0.42) CRHR1LMNAMEN1NR1I2GMNN
SCHEMBL4855812 0.71 TSHR (0.46) CRHR1LMNAMEN1CYP2C9TSHR
SCHEMBL4852355 0.69 CRHR1 (0.40) CRHR1
SCHEMBL4846763 0.69 SLC34A1 (0.46) CRHR1
SCHEMBL4857708 0.68 CRHR1 (0.49) CRHR1LMNAMEN1NR1I2GMNN
SCHEMBL4846780 0.67 CRHR1 (0.40) CRHR1MAPTTP53
SCHEMBL4848082 0.64 TP53 (0.49) CRHR1LMNATSHRKMT2AMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 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-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 (2 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-20170355708-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 CRHR1 3535/4885LMNA 1523/4885MEN1 1414/4885
US-20050113382-A1 Spiro tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists AVPR2, CRHR1, CRHR2 CRHR1 2/4885LMNA 3003/4885MEN1 648/4885

“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.