SCHEMBL17952599

SCHEMBL17952599

Cc1cc(C)c(C)c(N2c3cc(C#N)ccc3N(C)[C@@H]2C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.36
▸ HTR7 P34969 1/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ SETDB1 Q15047 1/20 0.32
▸ ADAM10 O14672 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP14 P50281 1/20 0.31
▸ ADAM17 P78536 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CYP2A6 P11509 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
SCHEMBL17952312 0.92 CASP3 (0.35) CASP3HTR7HTR2AHTR2CHTR2B
SCHEMBL17952249 0.91 CASP3 (0.38) CASP3HTR7HTR2AHTR2CHTR2B
SCHEMBL17952314 0.90 CASP3 (0.35) CASP3HTR7HTR2AHTR2CHTR2B
SCHEMBL17952488 0.86 CASP3 (0.36) CASP3HTR7HTR2AHTR2CHTR2B
SCHEMBL17952629 0.86 CASP3 (0.36) CASP3HTR7HTR2AHTR2CHTR2B
SCHEMBL17952597 0.86 CASP3 (0.36) CASP3HTR7HTR2AHTR2CHTR2B
SCHEMBL17952369 0.86 CASP3 (0.36) CASP3HTR7HTR2AHTR2CHTR2B
SCHEMBL17952376 0.84 CASP3 (0.35) CASP3HTR7HTR2AHTR2CHTR2B
SCHEMBL17952380 0.84 CASP3 (0.37) CASP3HTR7HTR2AHTR2CHTR2B
SCHEMBL17952317 0.82 MEN1 (0.32) CYP1A2CYP2C9CYP2C19

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 1740/4885HTR7 3131/4885HTR2A 2464/4885
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 CASP3 1740/4885HTR7 3131/4885HTR2A 2464/4885

“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.

Send feedback