SCHEMBL31009589

SCHEMBL31009589

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 2/20 0.36
▸ TBK1 Q9UHD2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM5A P29375 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ CREBBP Q92793 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ EP300 Q09472 3/20 0.33
▸ RET P07949 1/20 0.32
▸ GRM4 Q14833 1/20 0.32
▸ HAT1 O14929 2/20 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
SCHEMBL31009725 1.00 IKBKE (0.36) IKBKETBK1ALDH1A1L3MBTL1KDM5A
SCHEMBL31009616 0.93 KDM5A (0.40) IKBKETBK1ALDH1A1L3MBTL1KDM5A
SCHEMBL30784876 0.93 KDM5A (0.40) IKBKETBK1ALDH1A1L3MBTL1KDM5A
SCHEMBL31009597 0.93 KDM5A (0.40) IKBKETBK1ALDH1A1L3MBTL1KDM5A
SCHEMBL31009657 0.83 ALDH1A1 (0.39) ALDH1A1L3MBTL1JAK2JAK1JAK3
SCHEMBL31009656 0.83 ALDH1A1 (0.39) ALDH1A1L3MBTL1JAK2JAK1JAK3
SCHEMBL31009626 0.78 CYP1A2 (0.42) IKBKETBK1ALDH1A1JAK2JAK1
SCHEMBL31009642 0.78 CYP1A2 (0.42) IKBKETBK1ALDH1A1JAK2JAK1
SCHEMBL31009677 0.78 EP300 (0.37) ALDH1A1L3MBTL1CREBBPEP300
SCHEMBL31009599 0.77 CREBBP (0.39) ALDH1A1L3MBTL1JAK2JAK1JAK3

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 IKBKE 651/4885TBK1 525/4885ALDH1A1 693/4885

“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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