SCHEMBL4790122

SCHEMBL4790122

CN(C(=O)c1ccc(C(=O)O)cc1)c1nc(-c2ccncc2)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 8/20 0.47
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 1/20 0.41
HPGDS O60760 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
ROCK2 O75116 1/20 0.39
GRK2 P25098 1/20 0.39
MAPK13 O15264 1/20 0.38
ALOX5 P09917 1/20 0.38
TGFBR1 P36897 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL4788260 0.86 HPGDS (0.55) GRM1KDM4EKMT2AHPGDSROCK2
SCHEMBL4788586 0.85 GRM1 (0.43) GRM1KDM4EKMT2AHPGDSROCK2
SCHEMBL4790262 0.81 ELANE (0.46) GRM1KDM4EHSD17B10HPGDSROCK2
SCHEMBL4811243 0.72 KDM4E (0.39) GRM1KDM4EHSD17B10HPGDSPOLB
Terephthalic Acid SCHEMBL17360384 0.69 NAPRT (0.76) NAPRTNPC1RAB9ALMNAPOLB
SCHEMBL17279712 0.69 NPC1 (0.44) GRM1KDM4EKMT2ANPC1RAB9A
SCHEMBL4790463 0.68 ROCK2 (0.58) LMNAROCK2GRK2
SCHEMBL4790124 0.68 ROCK2 (0.59) ROCK2GRK2
SCHEMBL21652691 0.67 NAPRT (0.73) NAPRTLMNAPOLBROCK2MAPK13
SCHEMBL21652706 0.67 NAPRT (0.73) NAPRTLMNAPOLBROCK2MAPK13

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
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 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-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA GRM1 3978/4885KDM4E 2460/4885KMT2A 3700/4885

“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.