SCHEMBL17952525

SCHEMBL17952525

Cc1ccc(N2c3c(C#N)cccc3N(C)[C@@H]2C)cc1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NOTUM Q6P988 1/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL17952362 0.90 CA1 (0.33) CA1CA2KDM4EALDH1A1GAA
SCHEMBL17952316 0.86 KMT2A (0.41) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL17952164 0.84 KDM4E (0.37) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL17952118 0.84 CA1 (0.30) CA1CA2AR
SCHEMBL17952311 0.82 ALDH1A1 (0.37) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL21361134 0.82 TSHR (0.41) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL17952489 0.82 ALDH1A1 (0.34) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL17952166 0.82 KDM4E (0.34) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL17952165 0.82 KDM4E (0.34) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL17952183 0.82 KDM4E (0.34) KDM4EALDH1A1GAAHPGDALOX12

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-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 (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-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 CA1 4278/4885CA2 3475/4885KDM4E 4426/4885

“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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