SCHEMBL17947419

SCHEMBL17947419

Cc1cccc(-c2ccccc2)c1N1c2cccc(C#N)c2N(C)[C@@H]1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTR1A P08908 2/20 0.32
▸ HTR7 P34969 2/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ KCNN4 O15554 1/20 0.32
▸ AR P10275 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ GLA P06280 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
SCHEMBL17952527 0.91 SMN1; SMN2 (0.37) SMN1; SMN2HIF1ATSHRKDM4EALDH1A1
SCHEMBL17952269 0.88 AR (0.35) SMN1; SMN2TSHRKDM4EALDH1A1GAA
SCHEMBL17952346 0.87 SMN1; SMN2 (0.38) SMN1; SMN2HIF1ATSHRKDM4EALDH1A1
SCHEMBL17947662 0.87 TSHR (0.41) SMN1; SMN2HIF1ATSHRKDM4EALDH1A1
SCHEMBL17952223 0.86 ALDH1A1 (0.35) TSHRKDM4EALDH1A1GAACYP1A2
SCHEMBL17952189 0.86 CYP1A2 (0.38) TSHRKDM4EALDH1A1GAACYP1A2
SCHEMBL17947667 0.83 TSHR (0.43) SMN1; SMN2HIF1ATSHRKDM4EALDH1A1
SCHEMBL17947417 0.81 TSHR (0.34) SMN1; SMN2HIF1ATSHRKDM4EALDH1A1
SCHEMBL17952487 0.81 SMN1; SMN2 (0.38) SMN1; SMN2HIF1ATSHRKDM4EALDH1A1
SCHEMBL17952197 0.80 GRIA2 (0.34) SMN1; SMN2TSHRKDM4EALDH1A1GAA

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 3 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
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 SMN1; SMN2 3820/4885HIF1A 4782/4885TSHR 4400/4885
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 SMN1; SMN2 3820/4885HIF1A 4782/4885TSHR 4400/4885

“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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