SCHEMBL17940701

SCHEMBL17940701

Cc1cccc(-n2cnc3cccc(C#N)c32)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ HPGD P15428 9/20 0.45
▸ FGFR1 P11362 5/20 0.43
▸ GABRA1 P14867 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ XDH P47989 1/20 0.39

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
SCHEMBL17940700 0.90 HCAR1 (0.43) KMT2AALDH1A1HTTGFERHPGD
SCHEMBL17940717 0.83 FGFR1 (0.61) ALDH1A1HTTGFERFGFR1GABRA1
SCHEMBL17940768 0.82 HPGD (0.53) KMT2AALDH1A1HPGDFGFR1GABRA1
SCHEMBL17940747 0.80 HPGD (0.48) KMT2AALDH1A1HPGDFGFR1GABRA1
SCHEMBL32675842 0.76 GABRA1 (0.44) ALDH1A1HTTGFERHPGDFGFR1
SCHEMBL17940785 0.75 PRKCI (0.49) ALDH1A1HTTHPGDFGFR1GABRA1
SCHEMBL16147463 0.74 FGFR1 (0.68) ALDH1A1HTTHPGDFGFR1
SCHEMBL29829658 0.74 FGFR1 (0.68) ALDH1A1HTTHPGDFGFR1
SCHEMBL17947696 0.73 KMT2A (0.43) KMT2AALDH1A1HTTHPGDGABRA1
SCHEMBL30269609 0.72 HPGD (0.48) KMT2AALDH1A1HPGDFGFR1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114933614-A Organic electroluminescent material and device 环球展览公司 2022-08-23 — — CN disclosed
CN-105820122-B Organic electroluminescent material and device 环球展览公司 2022-05-17 — — CN disclosed
US-10418569-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-09-17 — — US disclosed
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
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-07-28 — — 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 KMT2A 3749/4885ALDH1A1 1620/4885HTT 2766/4885
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 KMT2A 3749/4885ALDH1A1 1620/4885HTT 2766/4885

“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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