SCHEMBL2190868

SCHEMBL2190868

O=c1cccnn1-c1ccn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.38
KCNA3 P22001 1/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
AURKA O14965 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
SCHEMBL18593134 0.69 CYP11B1 (0.36) KCNN4KCNA3CYP11B1CYP11B2
SCHEMBL2192084 0.68 TDP2 (0.33) CYP11B1CYP11B2
SCHEMBL2392374 0.67 KCNN4 (0.69) KCNN4KCNA3CA2CYP11B1CYP11B2
SCHEMBL3043828 0.67 CA12 (0.61) CA12CA1CA2CA9
SCHEMBL2190750 0.67 TNKS (0.36) KCNN4
SCHEMBL4240350 0.67 MAP4K4 (0.40) KCNN4KCNA3CYP11B1CYP11B2
SCHEMBL5800759 0.66 KMT2A (0.52) KCNN4KCNA3CYP11B1CYP11B2
SCHEMBL27172260 0.66 EP300 (0.49) CA12CA1CA2CA9AURKA
SCHEMBL3852141 0.65 KDM4E (0.47) KCNN4KCNA3CYP11B1CYP11B2
SCHEMBL9404829 0.65 DYRK1A (0.42) KCNN4KCNA3CA2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists SB PHARMCO PUERTO RICO INC 2011-07-14 US disclosed
EP-2186813-A1 Condensed N-heterocyclic compounds and their use as CRF receptor antagonists SmithKline Beecham (Cork) Limited (IE) 2010-05-19 EP disclosed
CN-101434604-A Condensed n-heterocyclic compounds and their use as CRF receptor antagonists SB PHARMCO INC (IE) 2009-05-20 CN disclosed
US-7427630-B2 Condensed N-heterocyclic compounds and their use as CRF receptor antagonists SB PHARMACO PUERTO RICO INC. (US) 2008-09-23 US disclosed
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists NEUROCRINE BIOSCIENCES, INC. 2007-01-04 US disclosed
CN-1805958-A fused N-heterocyclic compounds and their use as CRF receptor antagonists SB PHARMCO INC (PR) 2006-07-19 CN 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-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists CRH, CRHR1, CRHR2 KCNN4 2829/4885KCNA3 2794/4885CA12 2330/4885
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists CRHR2, NR3C2, CRHR1 KCNN4 1112/4885KCNA3 891/4885CA12 1947/4885

“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.