SCHEMBL2071976

SCHEMBL2071976

CCn1c(N)nc2c(c(-c3c(C)cc(C)cc3C)cn2C)c1=O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.60
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TLR8 Q9NR97 1/20 0.31

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
SCHEMBL2070607 0.85 CRHR1 (0.65) CRHR1KDM4E
SCHEMBL2069225 0.81 CRHR1 (0.80) CRHR1
SCHEMBL2072415 0.81 CRHR1 (0.55) CRHR1TSHR
SCHEMBL2070441 0.81 CRHR1 (0.54) CRHR1
SCHEMBL2072641 0.76 CRHR1 (0.66) CRHR1TSHRALDH1A1CYP1A2CYP2D6
SCHEMBL2071954 0.75 CRHR1 (1.00) CRHR1
SCHEMBL2072133 0.73 CRHR1 (0.51) CRHR1CYP1A2
SCHEMBL2071597 0.73 CRHR1 (1.00) CRHR1
SCHEMBL2070099 0.73 CRHR1 (0.62) CRHR1ALDH1A1
SCHEMBL2071874 0.72 CRHR1 (0.76) CRHR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2522670-A1 Heterocyclic CRF receptor antagonists Takeda Pharmaceutical Company Limited (JP) 2012-11-14 EP disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 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-20070179165-A1 Cyclic compounds CRHR1, CRHR2, MC2R CRHR1 1/4885TSHR 311/4885KDM4E 3537/4885

“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.