SCHEMBL31009616

SCHEMBL31009616

CC[C@@H](c1cnn(CCOC)c1)c1ccccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ IKBKE Q14164 4/20 0.36
▸ TBK1 Q9UHD2 4/20 0.36
▸ HAT1 O14929 2/20 0.35
▸ EP300 Q09472 2/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ GLA P06280 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ JAK1 P23458 4/20 0.34
▸ JAK2 O60674 3/20 0.34
▸ TYK2 P29597 3/20 0.34
▸ JAK3 P52333 3/20 0.34
▸ USP1 O94782 2/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL31009597 1.00 KDM5A (0.40) KDM5AALDH1A1L3MBTL1IKBKETBK1
SCHEMBL30784876 1.00 KDM5A (0.40) KDM5AALDH1A1L3MBTL1IKBKETBK1
SCHEMBL31009725 0.93 IKBKE (0.36) KDM5AALDH1A1L3MBTL1IKBKETBK1
SCHEMBL31009589 0.93 IKBKE (0.36) KDM5AALDH1A1L3MBTL1IKBKETBK1
SCHEMBL31009657 0.85 ALDH1A1 (0.39) ALDH1A1L3MBTL1HAT1EP300FEN1
SCHEMBL31009656 0.85 ALDH1A1 (0.39) ALDH1A1L3MBTL1HAT1EP300FEN1
SCHEMBL31009642 0.80 CYP1A2 (0.42) ALDH1A1IKBKETBK1JAK1JAK2
SCHEMBL31009626 0.80 CYP1A2 (0.42) ALDH1A1IKBKETBK1JAK1JAK2
SCHEMBL31009677 0.80 EP300 (0.37) ALDH1A1L3MBTL1EP300CREBBP
SCHEMBL31009599 0.79 CREBBP (0.39) ALDH1A1L3MBTL1CREBBPJAK1JAK2

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-20240246946-A1 MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. 2024-07-25 — — 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-20240246946-A1 MODULATORS OF TREX1 CFTR, SLC10A1, CYP27A1 KDM5A 4303/4885ALDH1A1 693/4885L3MBTL1 3434/4885

“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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