SCHEMBL17790256

SCHEMBL17790256

CNCc1cccc(C(=O)N2CCCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.57
RAB9A P51151 5/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
NPC1 O15118 4/20 0.57
TP53 P04637 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HTT P42858 2/20 0.57
LMNA P02545 2/20 0.57
RECQL P46063 1/20 0.57
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
PKM P14618 1/20 0.56
PRMT6 Q96LA8 1/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL17790202 0.99 HPGD (0.60) HPGDRAB9ASMN1; SMN2NPC1TP53
SCHEMBL17790189 0.97 SMN1; SMN2 (0.54) HPGDRAB9ASMN1; SMN2NPC1TP53
SCHEMBL5660631 0.89 PARP1 (0.54) RAB9ASMN1; SMN2NPC1TP53ALDH1A1
SCHEMBL2378760 0.89 KDM1A (0.57) HPGDRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL17790201 0.87 RAB9A (0.60) HPGDRAB9ASMN1; SMN2NPC1TP53
SCHEMBL13853834 0.86 RAB9A (0.53) HPGDRAB9ASMN1; SMN2NPC1TP53
SCHEMBL7901273 0.83 SMN1; SMN2 (0.65) HPGDRAB9ASMN1; SMN2NPC1TP53
SCHEMBL21016164 0.82 RAB9A (0.54) HPGDRAB9ASMN1; SMN2NPC1TP53
SCHEMBL4486004 0.82 KMT2A (0.66) HPGDRAB9ASMN1; SMN2NPC1TP53
SCHEMBL10174738 0.82 KMT2A (0.66) HPGDRAB9ASMN1; SMN2NPC1TP53

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 HPGD 1731/4885RAB9A 1385/4885SMN1; SMN2 834/4885

“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.