SCHEMBL17790217

SCHEMBL17790217

CNCc1nnc(-c2ccccc2F)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 1/20 0.53
▸ ANO1 Q5XXA6 1/20 0.49
▸ ALDH1A1 P00352 7/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ LMNA P02545 2/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ EGFR P00533 1/20 0.47
▸ HPGD P15428 6/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL17788632 0.84 ANO1 (0.49) GUSBANO1ALDH1A1KDM4ENPC1
SCHEMBL27475343 0.79 ALDH1A1 (0.59) GUSBANO1ALDH1A1KDM4ENPC1
SCHEMBL18901291 0.79 NOTUM (0.59) GUSBANO1ALDH1A1KDM4ENPC1
SCHEMBL6451424 0.77 NPC1 (0.64) GUSBALDH1A1KDM4ENPC1RAB9A
SCHEMBL17790248 0.77 RAB9A (0.64) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL29291259 0.76 GUSB (0.51) GUSBANO1ALDH1A1KDM4ENPC1
Hydrochloric Acid SCHEMBL23451515 0.76 RAB9A (0.62) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL11622857 0.74 KDM4E (0.41) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL13393578 0.73 NPC1 (0.55) GUSBANO1ALDH1A1KDM4ENPC1
SCHEMBL22571420 0.73 GSK3B (0.43) ALDH1A1KDM4ENPC1RAB9AHPGD

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
EP-3016951-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 — — EP disclosed
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 — — 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-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 GUSB 4796/4885ANO1 3491/4885ALDH1A1 3223/4885

“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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