SCHEMBL21361134

SCHEMBL21361134

Cc1cccc(C)c1N1c2c(C#N)cccc2N(C)[C@@H]1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ NOTUM Q6P988 2/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CASP1 P29466 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
SCHEMBL17952165 0.90 KDM4E (0.34) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL17952166 0.90 KDM4E (0.34) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL17952163 0.90 TSHR (0.43) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL17952523 0.88 KDM4E (0.37) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL17947662 0.88 TSHR (0.41) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL17952183 0.87 KDM4E (0.34) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL17952527 0.87 SMN1; SMN2 (0.37) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL17952181 0.85 KDM4E (0.33) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL17952092 0.85 TSHR (0.39) TSHRKDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL17952164 0.85 KDM4E (0.37) TSHRKDM4EALDH1A1GAAHPGD

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-10418569-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-09-17 — — 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-10418569-B2 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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