SCHEMBL4857708

SCHEMBL4857708

Cc1nc(Cl)cc(Nc2c(Cl)cc(Cl)cc2Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.49
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
NR1I2 O75469 1/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL8484401 0.79 RAPGEF4 (0.48) CRHR1MEN1KMT2ARAPGEF4NPC1
SCHEMBL5845129 0.78 KMT2A (0.45) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL18971579 0.77 CHRNA7 (0.47) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL4855812 0.75 TSHR (0.46) CRHR1MEN1KMT2AGAALMNA
SCHEMBL4852355 0.73 CRHR1 (0.40) CRHR1RAPGEF4
SCHEMBL4846780 0.73 CRHR1 (0.40) CRHR1RAPGEF4MAPTTP53SYK
SCHEMBL4846763 0.73 SLC34A1 (0.46) CRHR1
SCHEMBL4855605 0.73 MAPT (0.41) CRHR1MEN1KMT2ARAPGEF4NPC1
SCHEMBL3711167 0.72 MEN1 (0.47) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL29849205 0.72 MEN1 (0.47) MEN1KMT2ANPC1RAB9AGAA

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 648/4885KMT2A 2017/4885

“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.