SCHEMBL17952109

SCHEMBL17952109

Cc1cccc(C)c1N1c2ccc(C#N)c(C#N)c2N(C)[C@@H]1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ TSHR P16473 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ AR P10275 8/20 0.32
▸ CASP1 P29466 2/20 0.30
▸ L3MBTL1 Q9Y468 2/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HBB P68871 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL17952627 0.89 CYP1A2 (0.37) CYP1A2CYP2C19TSHRSMN1; SMN2HIF1A
SCHEMBL17952105 0.88 CYP1A2 (0.38) CYP1A2CYP2C19TSHRSMN1; SMN2HIF1A
SCHEMBL17952346 0.88 SMN1; SMN2 (0.38) CYP1A2CYP2C19TSHRSMN1; SMN2HIF1A
SCHEMBL17952107 0.88 AR (0.31) ARCASP1ALOX15CASP7LMNA
SCHEMBL17952127 0.88 AR (0.33) AR
SCHEMBL17952111 0.88 TSHR (0.37) CYP1A2CYP2C19TSHRSMN1; SMN2HIF1A
SCHEMBL17952091 0.86 AR (0.34) AR
SCHEMBL17952094 0.85 AR (0.33) AR
SCHEMBL17947662 0.85 TSHR (0.41) CYP1A2CYP2C19TSHRSMN1; SMN2HIF1A
SCHEMBL17952090 0.83 AR (0.32) AR

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

“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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