SCHEMBL17952163

SCHEMBL17952163

Cc1ccccc1N1c2c(C#N)cccc2N(C)[C@@H]1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ MGLL Q99685 1/20 0.33
▸ AR P10275 2/20 0.32
▸ NOTUM Q6P988 2/20 0.32
▸ LMNA P02545 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
SCHEMBL21361134 0.90 TSHR (0.41) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL17947667 0.89 TSHR (0.43) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL17952388 0.87 TSHR (0.41) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL17952489 0.87 ALDH1A1 (0.34) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL17952168 0.87 NPSR1 (0.33) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL17952164 0.86 KDM4E (0.37) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL17952196 0.85 SMN1; SMN2 (0.36) TSHRKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL17952185 0.85 SMN1; SMN2 (0.36) TSHRKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL17952188 0.85 KDM4E (0.36) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL17952243 0.85 TSHR (0.37) TSHRKDM4EALDH1A1CYP1A2CYP2C19

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 TSHR 4400/4885KDM4E 4426/4885ALDH1A1 1620/4885
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 TSHR 4400/4885KDM4E 4426/4885ALDH1A1 1620/4885

“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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