SCHEMBL17952388

SCHEMBL17952388

Cc1ccccc1N1c2c(C#N)ccc(C#N)c2N(C)[C@@H]1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ AR P10275 8/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ S1PR2 O95136 1/20 0.32
▸ S1PR4 O95977 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL17952096 0.89 TSHR (0.35) TSHRALDH1A1KMT2AMAPTMEN1
SCHEMBL17947667 0.87 TSHR (0.43) TSHRALDH1A1KMT2AMAPTMEN1
SCHEMBL17952163 0.87 TSHR (0.43) TSHRALDH1A1KMT2AMAPTMEN1
SCHEMBL17952092 0.85 TSHR (0.39) TSHRALDH1A1KMT2AMAPTMEN1
SCHEMBL17952111 0.83 TSHR (0.37) TSHRALDH1A1KMT2AMAPTMEN1
SCHEMBL17952243 0.83 TSHR (0.37) TSHRALDH1A1KMT2AMAPTMEN1
SCHEMBL17952274 0.83 ALDH1A1 (0.36) ALDH1A1ARKDM4ELMNAGLA
SCHEMBL17952267 0.83 ALDH1A1 (0.36) ALDH1A1ARKDM4ELMNAGLA
SCHEMBL17952605 0.83 ALDH1A1 (0.33) TSHRALDH1A1KMT2AMEN1AR
SCHEMBL17952390 0.83 NPSR1 (0.36) TSHRALDH1A1KMT2AMEN1AR

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 4400/4885ALDH1A1 1620/4885KMT2A 3749/4885
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 TSHR 4400/4885ALDH1A1 1620/4885KMT2A 3749/4885

“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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