SCHEMBL22553899

SCHEMBL22553899

O=C1CCCN1c1ccc(-c2cncc(-c3ccnc4[nH]ccc34)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.46
IKBKB O14920 5/20 0.46
CHUK O15111 5/20 0.46
PRKCI P41743 4/20 0.45
ROCK2 O75116 1/20 0.44
AURKB Q96GD4 2/20 0.43
ACVR1 Q04771 2/20 0.43
AURKA O14965 1/20 0.43
INCENP Q9NQS7 1/20 0.43
TPX2 Q9ULW0 1/20 0.43
BMPR1B O00238 1/20 0.43
BMPR1A P36894 1/20 0.43
ACVRL1 P37023 1/20 0.43
PIK3C3 Q8NEB9 2/20 0.41
CD38 P28907 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
NPC1 O15118 1/20 0.41
DAPK3 O43293 1/20 0.41

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
SCHEMBL22553955 0.86 PIM1 (0.42) NUDT1CD38TBK1NPC1CDK8
SCHEMBL22553948 0.85 CAMKK2 (0.45) ROCK2CD38DAPK3PRKD3MAP4K4
SCHEMBL22553994 0.82 RPS6KA3 (0.40) CD38NPC1CDK8RPS6KA3
SCHEMBL30730801 0.82 TBK1 (0.44) NUDT1CD38TBK1NPC1PRKAA1
SCHEMBL22553975 0.82 TBK1 (0.44) NUDT1CD38TBK1NPC1PRKAA1
SCHEMBL22553745 0.81 TBK1 (0.45) NUDT1ROCK2CD38TBK1CDK12
SCHEMBL22553851 0.81 ROCK2 (0.41) ROCK2CD38CCNKCDK12NPC1
SCHEMBL30730813 0.81 ROCK2 (0.41) ROCK2CD38CCNKCDK12NPC1
SCHEMBL30731110 0.81 NUDT1 (0.46) NUDT1CD38TBK1CCNKCDK12
SCHEMBL22553985 0.81 PIM1 (0.39) CD38TBK1NPC1CDK8PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2024-03-05 US claimed
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 CN claimed
CN-112088157-A Aryl-bipyridine amine derivatives as phosphoinositide kinase inhibitors 拉文纳制药公司 2020-12-15 CN claimed
EP-3728230-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS Ravenna Pharmaceuticals, Inc. (US) 2020-10-28 EP claimed
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 US 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
CN-112088157-A Aryl-bipyridine amine derivatives as phosphoinositide kinase inhibitors 拉文纳制药公司 2020-12-15 CN disclosed
EP-3728230-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS Ravenna Pharmaceuticals, Inc. (US) 2020-10-28 EP disclosed
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 US disclosed
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 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 (2 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-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS PIP5K1A, PIP5K1B, PIP5K1C NUDT1 2148/4885IKBKB 860/4885CHUK 392/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C NUDT1 2148/4885IKBKB 860/4885CHUK 392/4885

“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.