SCHEMBL4708863

SCHEMBL4708863

O=c1nc[nH]c2cccc(Cl)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.54
▸ DYRK1A Q13627 3/20 0.46
▸ AURKA O14965 2/20 0.46
▸ DAPK3 O43293 2/20 0.46
▸ PRKD3 O94806 2/20 0.46
▸ MAP4K4 O95819 2/20 0.46
▸ RET P07949 2/20 0.46
▸ IGF1R P08069 2/20 0.46
▸ PIM1 P11309 2/20 0.46
▸ CLK2 P49760 2/20 0.46
▸ GSK3A P49840 2/20 0.46
▸ GSK3B P49841 2/20 0.46
▸ PRKX P51817 2/20 0.46
▸ BTK Q06187 2/20 0.46
▸ TYRO3 Q06418 2/20 0.46
▸ NTRK3 Q16288 2/20 0.46
▸ TAOK1 Q7L7X3 2/20 0.46
▸ CLK4 Q9HAZ1 2/20 0.46
▸ ALK Q9UM73 2/20 0.46
▸ JAK2 O60674 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
SCHEMBL30530533 0.78 PARP1 (0.54) PARP1GPR84FEN1
SCHEMBL8621146 0.78 PARP1 (0.54) PARP1GPR84FEN1
SCHEMBL11343387 0.75 PARP1 (0.37) PARP1DYRK1AAURKADAPK3PRKD3
SCHEMBL8813028 0.74 ABL1 (0.49) PARP1ABL1GAAKDM4EALDH1A1
SCHEMBL196738 0.72 PARP1 (0.56) PARP1DYRK1AAURKADAPK3PRKD3
SCHEMBL10881189 0.70 GAA (0.49) PARP1DYRK1AGPR84GAAERCC5
SCHEMBL4708864 0.70 PARP1 (1.00) PARP1DYRK1AAURKADAPK3PRKD3
SCHEMBL19810765 0.69 CYP1A2 (0.51) PARP1DYRK1AGPR84NR4A2ERCC5
Quinazolinone SCHEMBL10418 0.68 PARP1 (0.48) PARP1DYRK1AAURKADAPK3PRKD3
SCHEMBL19153000 0.68 PDE3B (0.44) PARP1PIM1RPS6KA3CDK5ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309596-B1 HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TYROSINE KINASES BOEHRINGER INGELHEIM PHARMA (US) 2008-02-06 — — EP disclosed
US-6844435-B2 Heterocyclic compounds useful as inhibitors of tyrosine kinases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-01-18 — — US disclosed
US-20030207902-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-11-06 — — US disclosed
EP-1309596-A2 HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TYROSINE KINASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2003-05-14 — — EP disclosed
US-6489328-B2 AUTOIMMUNE DISEASE; ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; ANTIPROLIFERATIVE AGENTS; ANTICANCER AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-12-03 — — US disclosed
US-20020119975-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-08-29 — — US disclosed
WO-2002014319-A2 HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TYROSINE KINASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-02-21 — — WO disclosed
US-5849861-A Polyquinazolines and methods for their preparation HITACHI CHEMICAL CO., LTD. (JP) 1998-12-15 — — US disclosed
US-5686560-A TREATING A MONOMER WITH A BASE IN A DIPOLAR SOLVENT HITACHI CHEMICAL CO., LTD. (JP) 1997-11-11 — — US disclosed
US-4182630-A COLOR PHOTOGRAPHY MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1980-01-08 — — 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-20020119975-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases LTK, JAK1, LCK PARP1 1095/4885DYRK1A 1138/4885AURKA 957/4885
US-20030207902-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases LTK, JAK1, LCK PARP1 1095/4885DYRK1A 1138/4885AURKA 957/4885

“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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