SCHEMBL311147

SCHEMBL311147

c1ccc2c(c1)ncn2-c1n[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.52
▸ HTT P42858 2/20 0.49
▸ POLB P06746 1/20 0.45
▸ FGFR1 P11362 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GAA P10253 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
SCHEMBL6669514 0.79 FGFR1 (0.61) MAPK1FGFR1ALDH1A1TSHRKDM4E
SCHEMBL2880089 0.73 PRKD3 (0.42) FGFR1ALDH1A1TP53KDM4EHPGD
SCHEMBL13683022 0.73 MAPK1 (0.50) MAPK1HTTPOLBFGFR1ALDH1A1
SCHEMBL30524297 0.72 HTT (0.62) MAPK1HTTPOLBFGFR1MKNK1
SCHEMBL29947266 0.72 KDM4E (0.49) FGFR1ALDH1A1KDM4E
SCHEMBL7596615 0.72 MKNK1 (0.50) MAPK1HTTPOLBFGFR1ALDH1A1
SCHEMBL15748197 0.71 DRD2 (0.61) TSHR
SCHEMBL16756420 0.70 MAPK1 (0.57) MAPK1HTTPOLBFGFR1ALDH1A1
SCHEMBL21772160 0.68 HTR2C (0.39) MAPK1FGFR1ALDH1A1MKNK2KDM4E
SCHEMBL3417306 0.68 HTT (0.73) HTTPOLBFGFR1ALDH1A1MKNK1

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
US-8455471-B2 Compositions of CHK1 inhibitors and cyclodextrin ICOS CORPORATION (US) 2013-06-04 — — US disclosed
US-8093244-B2 Heteroaryl urea derivatives useful for inhibiting CHK1 ICOS CORPORATION (US) 2012-01-10 — — US disclosed
EP-2330105-A1 Heteroaryl urea derivatives useful for inhibiting CHK1 ICOS Corporation (US) 2011-06-08 — — EP disclosed
EP-1869020-B1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORP (US) 2010-12-01 — — EP disclosed
US-20100022512-A1 COMPOSITIONS OF CHK1 INHIBITORS AND CYCLODEXTRIN WISDOM WENDY A 2010-01-28 — — US disclosed
US-7560462-B2 Compounds useful for inhibiting CHK1 ICOS CORPORATION (US) 2009-07-14 — — US disclosed
US-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2009-06-04 — — US disclosed
EP-2063879-A2 COMPOSITIONS OF CHK1 INHIBITORS AND CYCLODEXTRIN ICOS Corporation (US) 2009-06-03 — — EP disclosed
US-7541367-B2 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-06-02 — — US disclosed
US-20090048249-A1 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2009-02-19 — — US disclosed
WO-2008067027-A2 COMPOSITIONS OF CHKL INHIBITORS AND CYCLODEXTRIN ICOS CORPORATION (US) 2008-06-05 — — WO disclosed
EP-1869020-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHKl ICOS Corporation (US) 2007-12-26 — — EP disclosed
EP-1778648-A2 COMPOUNDS USEFUL FOR INHIBITING CHK1 ICOS Corporation (US) 2007-05-02 — — EP disclosed
EP-1768977-A2 COMPOUNDS USEFUL FOR INHIBITING CHK1 ICOS Corporation (US) 2007-04-04 — — EP disclosed
EP-1765808-A1 BISARYLUREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS Corporation (US) 2007-03-28 — — EP disclosed
WO-2006130673-A1 3-BENZOIMIDAZOLYL-PYRAZOLOPYRIDINES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-07 — — WO disclosed
WO-2006105262-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHKl ICOS CORPORATION (US) 2006-10-05 — — WO disclosed
WO-2006021002-A2 COMPOUNDS USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2006-02-23 — — WO disclosed
WO-2006014359-A2 COMPOUNDS USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2006-02-09 — — WO disclosed
WO-2006012308-A1 BISARYLUREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2006-02-02 — — WO 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 (3 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-20090048249-A1 3-benzoimidazolyl-pyrazolopyridines useful in treating kinase disorders PRKDC, PRKACA, ABL1 MAPK1 340/4885HTT 4161/4885POLB 2356/4885
US-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 CHEK1, CHEK2, PCNA MAPK1 2909/4885HTT 2649/4885POLB 73/4885
US-20100022512-A1 COMPOSITIONS OF CHK1 INHIBITORS AND CYCLODEXTRIN CHEK1, CHEK2, DDB1 MAPK1 1564/4885HTT 4429/4885POLB 193/4885

“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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