SCHEMBL17952096

SCHEMBL17952096

Cc1cccc(N2c3c(C#N)ccc(C#N)c3N(C)[C@@H]2C)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ AR P10275 7/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ ADRB1 P08588 1/20 0.32
▸ ALDH1A1 P00352 5/20 0.32
▸ GAA P10253 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ALOX12 P18054 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPT P10636 4/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HKDC1 Q2TB90 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
SCHEMBL17952366 0.89 TSHR (0.39) TSHRCYP1A2CYP2C19ARHTR1A
SCHEMBL17952388 0.89 TSHR (0.41) TSHRCYP1A2CYP2C19ARALDH1A1
SCHEMBL17952343 0.87 AR (0.36) ARALDH1A1KDM4EMAPTPOLB
SCHEMBL17952092 0.85 TSHR (0.39) TSHRCYP1A2CYP2C19ARHTR1A
SCHEMBL17952105 0.84 CYP1A2 (0.38) TSHRCYP1A2CYP2C19ARALDH1A1
SCHEMBL17952099 0.83 AR (0.32) TSHRARALDH1A1HPGDKDM4E
SCHEMBL17947662 0.83 TSHR (0.41) TSHRCYP1A2CYP2C19HTR1ADRD2
SCHEMBL17947417 0.82 TSHR (0.34) TSHRCYP1A2CYP2C19ALDH1A1GAA
SCHEMBL17952341 0.82 AR (0.33) ARKDM4E
SCHEMBL17952333 0.81 NSD2 (0.32) TSHRARALDH1A1KDM4EMAPT

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 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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