SCHEMBL3460263

SCHEMBL3460263

Clc1ccc2ncnc(N3CCOCC3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.54
ADK P55263 1/20 0.49
PRKDC P78527 2/20 0.47
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
ADORA2A P29274 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 3/20 0.46
HIF1A Q16665 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
PDE10A Q9Y233 3/20 0.45
JAK3 P52333 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
LRRK2 Q5S007 1/20 0.43
HSD17B10 Q99714 2/20 0.43

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
SCHEMBL31114094 1.00 PTK2 (0.54) PTK2ADKPRKDCKDM4EGAA
SCHEMBL22715630 0.86 MAP4K4 (0.44) PRKDCKDM4EADORA2APOLBALDH1A1
SCHEMBL22715607 0.86 MAP4K4 (0.48) PRKDCKDM4EGAAADORA2APOLB
SCHEMBL29439612 0.86 MAP4K4 (0.48) PRKDCKDM4EGAAADORA2APOLB
SCHEMBL22715964 0.84 MAP4K4 (0.50) PRKDCKDM4EADORA2APOLBALDH1A1
SCHEMBL29439801 0.84 MAP4K4 (0.50) PRKDCKDM4EADORA2APOLBALDH1A1
SCHEMBL31113868 0.84 CYP1A2 (0.43) PTK2LMNACYP1A2TSHRLRRK2
SCHEMBL30734176 0.82 ACHE (0.49) KDM4EGAAPOLBALDH1A1MAPK1
SCHEMBL16166910 0.82 SMN1; SMN2 (0.49) KDM4EGAAPOLBALDH1A1MAPK1
SCHEMBL31113848 0.82 HIF1A (0.43) PTK2KDM4EGAAADORA2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
EP-2217590-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-08-18 EP disclosed
US-20100204222-A1 PYRIDOPYRIMIDINE DERIVATIVES AS P13 KINASE INHIBITORS GlaxoSmithKline, LLC 2010-08-12 US disclosed
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
WO-2009039140-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-26 WO disclosed
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
WO-2009003669-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-01-08 WO disclosed
EP-1899332-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2008-03-19 EP disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 US disclosed
EP-1831217-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2007-09-12 EP disclosed
WO-2006135993-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2006-12-28 WO disclosed
WO-2006069805-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2006-07-06 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 (5 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO PTK2 4583/4885ADK 447/4885PRKDC 2741/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PTK2 3720/4885ADK 699/4885PRKDC 1238/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PTK2 3720/4885ADK 699/4885PRKDC 1238/4885
US-20100204222-A1 PYRIDOPYRIMIDINE DERIVATIVES AS P13 KINASE INHIBITORS PI4KA, PIK3CA, PFKP PTK2 40/4885ADK 97/4885PRKDC 111/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PTK2 3720/4885ADK 699/4885PRKDC 1238/4885

“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.