SCHEMBL17790260

SCHEMBL17790260

CNCc1cccc(C(=O)N2CC(F)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.49
GLRA1 P23415 2/20 0.48
HSD17B10 Q99714 1/20 0.47
KDM1A O60341 4/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MGLL Q99685 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
TP53 P04637 2/20 0.40
MAPK10 P53779 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL17790258 0.84 ROCK2 (0.52) ROCK2HSD17B10KDM1ASMN1; SMN2NPC1
SCHEMBL17790189 0.82 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL17790256 0.82 HPGD (0.57) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL17790221 0.81 ROCK2 (0.48) ROCK2HSD17B10KDM1ASMN1; SMN2NPC1
SCHEMBL17790202 0.81 HPGD (0.60) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL17790257 0.81 LOXL2 (0.56) ROCK2KDM1ANPC1RAB9AMEN1
SCHEMBL17790204 0.81 LOXL2 (0.56) ROCK2KDM1ANPC1RAB9AMEN1
SCHEMBL5660631 0.80 PARP1 (0.54) KDM1ASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2378760 0.80 KDM1A (0.57) KDM1ASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL17790201 0.78 RAB9A (0.60) SMN1; SMN2NPC1RAB9AMEN1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
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 ROCK2 4/4885GLRA1 2744/4885HSD17B10 3920/4885

“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.