SCHEMBL17952258

SCHEMBL17952258

Cc1cccc(C)c1N1C(C#N)=C(C#N)N(C)[C@@H]1C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX12 P18054 1/20 0.30

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
SCHEMBL17952197 0.86 GRIA2 (0.34) TSHRCYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL17952372 0.85 — —
SCHEMBL17952485 0.83 — —
SCHEMBL21361140 0.82 ALDH1A1 (0.38) TSHRCYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL17952182 0.80 — —
SCHEMBL17952174 0.78 — —
SCHEMBL17952092 0.78 TSHR (0.39) TSHRCYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL17952268 0.76 POLB (0.36) TSHRALDH1A1POLBKMT2AKDM4E
SCHEMBL17947662 0.75 TSHR (0.41) TSHRCYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL21361134 0.75 TSHR (0.41) TSHRCYP1A2CYP2C19ALDH1A1MEN1

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 TSHR 4400/4885CYP1A2 1168/4885CYP2C19 2422/4885
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 TSHR 4400/4885CYP1A2 1168/4885CYP2C19 2422/4885

“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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