SCHEMBL30730790

SCHEMBL30730790

Cc1c[nH]c2nccc(-c3cnc(N)c(-c4ccc(N5CCCC5=O)cc4)c3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
ROCK2 O75116 3/20 0.39
ROCK1 Q13464 3/20 0.39
CDC42BPB Q9Y5S2 3/20 0.39
TGFBR1 P36897 2/20 0.38
ACVR1 Q04771 1/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
TNIK Q9UKE5 3/20 0.38
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCNK O75909 1/20 0.37
CDK12 Q9NYV4 1/20 0.37

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
SCHEMBL22554267 1.00 PKM (0.40) PKMROCK2ROCK1CDC42BPBTGFBR1
SCHEMBL30730780 0.93 ACVR1 (0.40) PKMROCK2ROCK1CDC42BPBTGFBR1
SCHEMBL22553909 0.93 ACVR1 (0.40) PKMROCK2ROCK1CDC42BPBTGFBR1
SCHEMBL22553851 0.87 ROCK2 (0.41) PKMROCK2ROCK1CDC42BPBPRKAB2
SCHEMBL30730813 0.87 ROCK2 (0.41) PKMROCK2ROCK1CDC42BPBPRKAB2
SCHEMBL22553778 0.76 TGFBR1 (0.36) TGFBR1ACVR1PRKAB2PRKAG1PRKAA2
SCHEMBL30730809 0.76 TGFBR1 (0.36) TGFBR1ACVR1PRKAB2PRKAG1PRKAA2
SCHEMBL22553751 0.76 TBK1 (0.41) PKMTGFBR1ACVR1PRKAB2PRKAG1
SCHEMBL30730839 0.76 TBK1 (0.41) PKMTGFBR1ACVR1PRKAB2PRKAG1
SCHEMBL22553850 0.76 CHEK2 (0.54) TGFBR1ACVR1GAAMAP4K4FYN

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
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 CN claimed
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2024-03-05 US disclosed
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 CN 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-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C PKM 600/4885ROCK2 1231/4885ROCK1 1158/4885

“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.