SCHEMBL21361140

SCHEMBL21361140

Cc1ccccc1N1C(C#N)=C(C#N)N(C)[C@@H]1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ TSHR P16473 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ HPGD P15428 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ HTT P42858 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
SCHEMBL17952258 0.82 TSHR (0.33) ALDH1A1KMT2AMEN1POLBTSHR
SCHEMBL17952195 0.82 GRIA2 (0.35) ALDH1A1L3MBTL1KDM4ELMNAHPGD
SCHEMBL17952198 0.82 GRIA2 (0.35) ALDH1A1L3MBTL1KDM4ELMNAHPGD
SCHEMBL17952273 0.81 NPSR1 (0.38) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL17952176 0.81 HSD17B10 (0.36) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL17952486 0.79 — —
SCHEMBL17952268 0.78 POLB (0.36) ALDH1A1KMT2AL3MBTL1POLBTSHR
SCHEMBL17952361 0.77 — —
SCHEMBL17952388 0.77 TSHR (0.41) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL17952177 0.77 TSHR (0.41) ALDH1A1KMT2AMEN1MAPTL3MBTL1

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 ALDH1A1 1620/4885KMT2A 3749/4885MEN1 4476/4885

“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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