SCHEMBL4243215

SCHEMBL4243215

NC(=O)c1ccccc1-c1cncnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.63
▸ PDK2 Q15119 1/20 0.51
▸ PKN1 Q16512 1/20 0.50
▸ PKN2 Q16513 1/20 0.50
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CSNK1A1 P48729 1/20 0.46
▸ TYRO3 Q06418 1/20 0.46
▸ DYRK1B Q9Y463 1/20 0.46
▸ ALOX5AP P20292 1/20 0.46
▸ FEN1 P39748 1/20 0.46
▸ AR P10275 1/20 0.45
▸ PARP1 P09874 1/20 0.45
▸ CYP11B2 P19099 1/20 0.44
▸ IKBKB O14920 1/20 0.44
▸ CHUK O15111 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL30716388 0.98 BCAT2 (0.61) BCAT2PDK2PKN1PKN2NPC1
SCHEMBL29131435 0.91 BCAT2 (0.53) BCAT2PDK2PKN1PKN2NPC1
SCHEMBL31227976 0.84 BCAT2 (0.67) BCAT2PKN1PKN2PARP1MKNK1
SCHEMBL167082 0.84 BCAT2 (0.67) BCAT2PKN1PKN2PARP1MKNK1
SCHEMBL30514275 0.84 BCAT2 (0.67) BCAT2PKN1PKN2PARP1MKNK1
SCHEMBL13734618 0.83 ERN1 (0.51) BCAT2NPC1RAB9AARKDM4E
Hydrochloric Acid SCHEMBL27890957 0.82 BCAT2 (0.65) BCAT2PKN1PKN2PARP1MKNK1
Hydrochloric Acid SCHEMBL30165666 0.82 BCAT2 (0.65) BCAT2PKN1PKN2PARP1MKNK1
SCHEMBL30482280 0.81 BCAT2 (0.63) BCAT2NPC1RAB9ACSNK1A1TYRO3
SCHEMBL5878337 0.80 BCAT2 (0.87) BCAT2NPC1RAB9ACSNK1A1TYRO3

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101472902-A Novel piperazine compounds and their use as HCV polymerase inhibitors JAPAN TOBACCO INC (JP) 2009-07-01 — — CN claimed
WO-2023246867-A1 NAV1.8 INHIBITOR 武汉人福创新药物研发中心有限公司 2023-12-28 — — WO disclosed
CN-117263856-A Nav1.8 inhibitors 武汉人福创新药物研发中心有限公司 2023-12-22 — — CN disclosed
US-20230116770-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-13 — — US disclosed
US-11452717-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2022-09-27 — — US disclosed
EP-3568390-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2019-11-20 — — EP disclosed
CN-108884098-A 2- amino-N- [7- methoxyl group -2,3- glyoxalidine simultaneously [1,2-c] quinazoline -5- base] pyrimidine -5- benzamide type 拜耳制药股份公司 2018-11-23 — — CN disclosed
CN-108884098-A 2- amino-N- [7- methoxyl group -2,3- glyoxalidine simultaneously [1,2-c] quinazoline -5- base] pyrimidine -5- benzamide type 拜耳制药股份公司 2018-11-23 — — CN disclosed
WO-2018132372-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2018-07-19 — — WO disclosed
EP-3334727-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-06-20 — — EP disclosed
CN-104487434-A Bicyclic substituted pyrimidine compounds XUANZHU PHARMA CO LTD 2015-04-01 — — CN disclosed
CN-104230911-A 2, 6-diamino- pyrimidin- 5-yl-carboxamides compounds as SYK or JAK kinases inhibitors PORTOLA PHARM INC 2014-12-24 — — CN disclosed
CN-102066339-B 2, 6-diamino-pyrimidin-5-yl-carboxamides as SYK or JAK protein kinase inhibitors PORTOLA PHARM INC 2014-09-24 — — CN disclosed
CN-103917526-A Pyrimidine carboxamide derivatives APAC PHARMACEUTICAL LLC 2014-07-09 — — CN disclosed
CN-102066340-B 2, 6-diamino-pyrimidin- 5-yl-carboxamides as SRK or JAK kinases inhibitors PORTOLA PHARM INC 2014-05-14 — — CN disclosed
CN-102066340-A 2, 6-diamino-pyrimidin- 5-yl-carboxamides as SRK or JAK kinases inhibitors PORTOLA PHARM INC 2011-05-18 — — CN disclosed
CN-102066339-A 2, 6-diamino-pyrimidin-5-yl-carboxamides as SYK or JAK protein kinase inhibitors PORTOLA PHARM INC 2011-05-18 — — CN disclosed
WO-2009123986-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 — — WO disclosed
CN-101472902-A Novel piperazine compounds and their use as HCV polymerase inhibitors JAPAN TOBACCO INC (JP) 2009-07-01 — — CN disclosed
CN-1038450-A The 5-pyrimidine carboxamide analog derivative that replaces UNIROYAL CHEM CO INC (US) 1990-01-03 — — 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 (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-11452717-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT BCAT2 532/4885PDK2 653/4885PKN1 2420/4885
US-20230116770-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF NAMPT, NAPRT, NNT BCAT2 532/4885PDK2 653/4885PKN1 2420/4885

“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.

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