SCHEMBL17952390

SCHEMBL17952390

Cc1ccc(N2c3c(C#N)ccc(C#N)c3N(C)[C@@H]2C)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.36
▸ AR P10275 5/20 0.32
▸ ATM Q13315 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ HPGD P15428 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ BRCA1 P38398 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ TSHR P16473 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ FFAR4 Q5NUL3 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
SCHEMBL17952605 0.89 ALDH1A1 (0.33) ARALDH1A1HPGDMEN1ALOX15
SCHEMBL17952099 0.86 AR (0.32) ARALDH1A1HPGDKMT2AKDM4E
SCHEMBL17952093 0.86 AR (0.31) ARKDM4ETSHR
SCHEMBL17952110 0.85 NPSR1 (0.33) NPSR1ARATMHTR7ALDH1A1
SCHEMBL17947668 0.85 NPSR1 (0.33) NPSR1ATMHTR7ALDH1A1HPGD
SCHEMBL17952232 0.85 NPSR1 (0.33) NPSR1ARATMHTR7ALDH1A1
SCHEMBL17952168 0.85 NPSR1 (0.33) NPSR1ATMHTR7ALDH1A1HPGD
SCHEMBL17952095 0.84 AR (0.34) ARALDH1A1HPGDALOX15KMT2A
SCHEMBL17952274 0.83 ALDH1A1 (0.36) ARALDH1A1HPGDKDM4EMAOA
SCHEMBL17952388 0.83 TSHR (0.41) NPSR1ARATMALDH1A1HPGD

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 NPSR1 1465/4885AR 1525/4885ATM 3790/4885
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 NPSR1 1465/4885AR 1525/4885ATM 3790/4885

“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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