SCHEMBL17952111

SCHEMBL17952111

Cc1ccccc1N1c2ccc(C#N)c(C#N)c2N(C)[C@@H]1C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ AR P10275 9/20 0.34
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PGR P06401 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
SCHEMBL17952105 0.90 CYP1A2 (0.38) TSHRCYP1A2CYP2C19SMN1; SMN2HIF1A
SCHEMBL17952243 0.90 TSHR (0.37) TSHRCYP1A2CYP2C19SMN1; SMN2HIF1A
SCHEMBL17952109 0.88 CYP1A2 (0.37) TSHRCYP1A2CYP2C19SMN1; SMN2HIF1A
SCHEMBL17952110 0.86 NPSR1 (0.33) ARALDH1A1LMNA
SCHEMBL17952347 0.86 SMN1; SMN2 (0.36) SMN1; SMN2HIF1AARALDH1A1L3MBTL1
SCHEMBL17947667 0.85 TSHR (0.43) TSHRCYP1A2CYP2C19SMN1; SMN2HIF1A
SCHEMBL17952112 0.85 THRB (0.34) ARALDH1A1KDM4ELMNAHTT
SCHEMBL17952607 0.85 SMN1; SMN2 (0.35) SMN1; SMN2HIF1AARALDH1A1L3MBTL1
SCHEMBL17952108 0.84 AR (0.31) ARPGR
SCHEMBL17952388 0.83 TSHR (0.41) TSHRCYP1A2CYP2C19ARMAPT

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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