SCHEMBL556881

SCHEMBL556881

Nc1nc(O)c2ncn(-n3cnc4c(=O)[nH]c(N)nc43)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 7/20 0.50
▸ TK1 P04183 2/20 0.49
▸ PNP P00491 6/20 0.48
▸ BLM P54132 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ EDNRA P25101 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ HBB P68871 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ VCP P55072 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HIF1A Q16665 1/20 0.46

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
SCHEMBL986800 0.87 XDH (0.60) XDHTK1PNPBLMUSP2
SCHEMBL1825531 0.86 XDH (0.51) XDHTK1PNPBLMUSP2
SCHEMBL15005119 0.85 XDH (0.59) XDHTK1PNPBLMUSP2
SCHEMBL26102379 0.77 XDH (0.50) XDHTK1PNPBLMUSP2
SCHEMBL72147 0.76 XDH (0.50) XDHTK1PNPBLMUSP2
SCHEMBL1831279 0.76 XDH (0.50) XDHTK1PNPBLMUSP2
SCHEMBL523465 0.76 XDH (0.47) XDHTK1PNPBLMUSP2
SCHEMBL2983847 0.74 XDH (0.57) XDHTK1PNPBLMUSP2
SCHEMBL10835122 0.74 XDH (0.61) XDHTK1PNPBLMUSP2
SCHEMBL79000 0.74 XDH (0.51) XDHTK1PNPBLMUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676768-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2017-06-13 — — US disclosed
US-9458158-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2016-10-04 — — US disclosed
US-9447098-B2 Pteridines as FGFR inhibitors ASTEX THERAPEUTICS LTD (GB) 2016-09-20 — — US disclosed
US-9303029-B2 Substituted quinoxalines as FGFR kinase inhibitors ASTEX THERAPEUTICS LTD (GB) 2016-04-05 — — US disclosed
US-9303030-B2 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2016-04-05 — — US disclosed
US-20160083377-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2016-03-24 — — US disclosed
US-20160031856-A1 SUBSTITUTED QUINOXALINES AS FGFR KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2016-02-04 — — US disclosed
US-20150291589-A1 PTERIDINES AS FGFR INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2015-10-15 — — US disclosed
US-20150291586-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2015-10-15 — — US disclosed
US-20150239883-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2015-08-27 — — US disclosed
EP-1394163-A1 Bicycloamide derivatives Kuraray Co., Ltd. (JP) 2004-03-03 — — EP disclosed
EP-0775705-B1 Cyclopentenecarboxamide derivative, method for preparing the same and bicycloamide derivative used therein KURARAY CO (JP) 2004-02-11 — — EP disclosed
US-6482957-B2 USEFUL AS AN INTERMEDIATE OF A CARBOCYCLIC NUCLEOSIDE ANTI-VIRAL AGENT; REACTING 2-AZABICYCLO(2.2.1)HEPT-5-EN-3-ONE WITH A SULFONYL HALIDE OR PHOSPHORYL HALIDE AND THEN WITH A NUCLEIC ACID BASE KURARAY CO., LTD. (JP) 2002-11-19 — — US disclosed
US-6452004-B1 USEFUL AS AN INTERMEDIATE OF A CARBOCYCLIC NUCLEOSIDE USEFULLY USED AS AN ANTI-VIRAL AGENT KURARAY CO., LTD. (JP) 2002-09-17 — — US disclosed
US-20020115857-A1 Cyclopentenecarboxamide derivative, method for preparing the same and bicycloamide derivative used therein KURARAY CO., LTD. (JP) 2002-08-22 — — US disclosed
US-6403568-B1 FOR THERAPY OF ACQUIRED IMMUNODEFICIENCY SYNDROME (AIDS) YAMASA CORPORATION (JP) 2002-06-11 — — US disclosed
US-6333315-B1 FOR THERAPY OF AIDS(ACQUIRE IMMUNODEFICIENCY SYNDROME) YAMASA CORPORATION (JP) 2001-12-25 — — US disclosed
US-6127539-A Cyclopentenecarboxamide derivative, method for preparing the same and bicycloamide derivative used therein KURARAY CO., LTD. (JP) 2000-10-03 — — US disclosed
US-5817812-A Cyclopentenecarboxamide derivative, method for preparing the same and bicycloamide derivative used therein KURARAY CO., LTD. (JP) 1998-10-06 — — US disclosed
EP-0775705-A2 Cyclopentenecarboxamide derivative, method for preparing the same and bicycloamide derivative used therein KURARAY CO., LTD. (JP) 1997-05-28 — — EP 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 (6 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-20150291589-A1 PTERIDINES AS FGFR INHIBITORS FGFR1, FGFR3, FGFR2 XDH 3672/4885TK1 84/4885PNP 909/4885
US-20150239883-A1 NEW COMPOUNDS NTPCR, MT-ND5, NQO1 XDH 695/4885TK1 646/4885PNP 274/4885
US-20150291586-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 XDH 502/4885TK1 356/4885PNP 902/4885
US-20020115857-A1 Cyclopentenecarboxamide derivative, method for preparing the same and bicycloamide derivative used therein COASY, PPID, DHPS XDH 1018/4885TK1 3652/4885PNP 1002/4885
US-20160083377-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNI, CCNO XDH 104/4885TK1 95/4885PNP 872/4885
US-20160031856-A1 SUBSTITUTED QUINOXALINES AS FGFR KINASE INHIBITORS FGFR1, FGFR3, ABL1 XDH 1243/4885TK1 319/4885PNP 1769/4885

“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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