SCHEMBL2069945

SCHEMBL2069945

CCOC(=O)c1c(C#N)ccn1-c1ccc(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
MAPT P10636 5/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
HBB P68871 1/20 0.38

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
SCHEMBL2070984 0.85 KDM4E (0.46) KDM4ELMNASMN1; SMN2MAPTHSD17B10
SCHEMBL2069971 0.82 LMNA (0.47) KDM4ELMNATP53THRBSMN1; SMN2
SCHEMBL2070675 0.72 GABRG2 (0.46) LMNATP53THRBGABRG2GABRB3
SCHEMBL2071880 0.71 CYP11B2 (0.46) KDM4ELMNATP53THRBGABRG2
SCHEMBL9041718 0.71 CA12 (0.43) KDM4ELMNASMN1; SMN2MAPTHSD17B10
SCHEMBL343474 0.68 CA12 (0.44) KDM4EMAPTHSD17B10MEN1ALDH1A1
SCHEMBL14809436 0.68 KDM4E (0.52) KDM4ELMNATHRBSMN1; SMN2MAPT
SCHEMBL6018009 0.68 ALDH1A1 (0.46) KDM4ETP53SMN1; SMN2MAPTMEN1
SCHEMBL7577565 0.68 CA12 (0.44) KDM4ELMNASMN1; SMN2MAPTHSD17B10
SCHEMBL13193177 0.67 CA12 (0.54) KDM4ELMNAMAPTHSD17B10MEN1

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 KDM4E 3537/4885LMNA 3131/4885TP53 4425/4885

“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.