SCHEMBL6747734

SCHEMBL6747734

CN1c2ccc(C#N)cc2Nc2nccnc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDGFRB P09619 15/20 0.36
KDR P35968 15/20 0.36
IDH1 O75874 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 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
SCHEMBL6751872 0.78 CASP3 (0.34) CASP3
SCHEMBL6747408 0.75 PDGFRB (0.36) PDGFRBKDR
SCHEMBL6749181 0.74 BRPF1 (0.41) KDM4EALDH1A1MAPTSMN1; SMN2IDH1
SCHEMBL28653040 0.73 CASP3 (0.44) CASP3KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6749214 0.72 BACE1 (0.39) KDM4E
SCHEMBL6750301 0.68 F2RL1 (0.38)
SCHEMBL6745576 0.68 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6749457 0.68 ICAM1 (0.31) PDGFRBKDR
SCHEMBL12080353 0.68 CASP3 (0.46) CASP3KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL11804090 0.68 CASP3 (0.49) CASP3KDM4EALDH1A1MAPTSMN1; SMN2

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
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 CASP3 2065/4885KDM4E 1573/4885ALDH1A1 145/4885

“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.