SCHEMBL17952249

SCHEMBL17952249

Cc1c(C)c(C)c(N2c3cc(C#N)ccc3N(C)[C@@H]2C)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.38
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ HTR7 P34969 1/20 0.33
▸ SETDB1 Q15047 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ TDP2 O95551 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ MAOB P27338 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
SCHEMBL17952599 0.91 CASP3 (0.36) CASP3HTR2AHTR2CHTR2BHTR7
SCHEMBL17952312 0.89 CASP3 (0.35) CASP3HTR2AHTR2CHTR2BHTR7
SCHEMBL17952314 0.87 CASP3 (0.35) CASP3HTR2AHTR2CHTR2BHTR7
SCHEMBL17952597 0.85 CASP3 (0.36) CASP3HTR2AHTR2CHTR2BHTR7
SCHEMBL17952369 0.85 CASP3 (0.36) CASP3HTR2AHTR2CHTR2BHTR7
SCHEMBL17952488 0.85 CASP3 (0.36) CASP3HTR2AHTR2CHTR2BHTR7
SCHEMBL17952629 0.82 CASP3 (0.36) CASP3HTR2AHTR2CHTR2BHTR7
SCHEMBL21688806 0.82 CASP3 (0.45) CASP3HTR2AHTR2CHTR2BHTR7
SCHEMBL17952192 0.81 MEN1 (0.33) MAOB
SCHEMBL17952376 0.81 CASP3 (0.35) CASP3HTR2AHTR2CHTR2BHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10418569-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-09-17 — — US disclosed
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-07-28 — — 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 (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-10418569-B2 Organic electroluminescent materials and devices OCIAD2, OCIAD1, OSBP2 CASP3 1740/4885HTR2A 2464/4885HTR2C 2735/4885
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 CASP3 1740/4885HTR2A 2464/4885HTR2C 2735/4885

“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.

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