SCHEMBL20690651

SCHEMBL20690651

N#Cc1ccc2c(C#N)c(C#N)ccc2c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.42
▸ PGR P06401 2/20 0.42
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ APBA1 Q02410 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ IMPDH2 P12268 3/20 0.35
▸ IMPDH1 P20839 2/20 0.35
▸ MDM4 O15151 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TRPV4 Q9HBA0 2/20 0.34
▸ ANPEP P15144 1/20 0.34
▸ UPP1 Q16831 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL12310191 0.97 AR (0.41) ARPGRKDM4EALDH1A1GAA
SCHEMBL31399295 0.84 TSHR (0.39) ARPGRKDM4EALDH1A1GAA
SCHEMBL152358 0.84 TSHR (0.39) ARPGRKDM4EALDH1A1GAA
SCHEMBL5250992 0.81 CYP1A2 (0.50) ARPGRKDM4EALDH1A1GAA
SCHEMBL28241231 0.81 ANPEP (0.56) ARKDM4EALDH1A1GAAMAPT
SCHEMBL5250990 0.81 ALDH1A1 (0.41) ARPGRKDM4EALDH1A1GAA
SCHEMBL8828836 0.81 ANPEP (0.56) ARKDM4EALDH1A1GAAMAPT
SCHEMBL27829855 0.81 DYRK1A (0.47) ARPGRKDM4EALDH1A1GAA
SCHEMBL7302562 0.81 CA1 (0.39) ARPGRKDM4EALDH1A1GAA
SCHEMBL820788 0.78 AR (0.34) ARPGRESR1ESR2IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031671-A1 SYNTHESIS OF A 1,2,5,6-NAPHTHALENEDIIMIDE MONOMER PHILLIPS 66 COMPANY (US) 2019-01-31 — — 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 (1 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-20190031671-A1 SYNTHESIS OF A 1,2,5,6-NAPHTHALENEDIIMIDE MONOMER NDC1, NUCB2, NOC2L AR 1050/4885PGR 3063/4885KDM4E 3341/4885

“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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