SCHEMBL5113717

SCHEMBL5113717

CSc1ncc2cc(Cc3ccccc3F)c(=O)n(C)c2n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.58
WEE1 P30291 3/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
POLB P06746 1/20 0.39
ABL1 P00519 3/20 0.38
PKM P14618 2/20 0.38
PKLR P30613 1/20 0.38
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SRC P12931 2/20 0.35
EGFR P00533 1/20 0.35
FGFR1 P11362 1/20 0.35

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
SCHEMBL14014118 0.86 MAPK14 (0.54) MAPK14WEE1PDE3BPDE3APOLB
SCHEMBL14038797 0.84 MAPK14 (0.60) MAPK14WEE1PDE3BPDE3APOLB
SCHEMBL5113611 0.83 MAPK14 (0.47) MAPK14ABL1SRCEGFRFGFR1
SCHEMBL30596977 0.83 MAPK14 (0.44) MAPK14WEE1POLBRAB9A
SCHEMBL26109619 0.83 MAPK14 (0.44) MAPK14WEE1POLBRAB9A
SCHEMBL5121311 0.81 MAPK14 (0.57) MAPK14WEE1PDE3BPDE3APOLB
SCHEMBL13553947 0.80 FGFR1 (0.37) MAPK14WEE1ABL1TSHRSRC
SCHEMBL30597112 0.79 MAPK14 (0.39) MAPK14WEE1ABL1SRCEGFR
SCHEMBL26113871 0.79 MAPK14 (0.39) MAPK14WEE1ABL1SRCEGFR
SCHEMBL31635895 0.78 WEE1 (0.39) MAPK14WEE1ABL1PKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449581-B2 6-Substituted pyrido-pyrimidines POCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-7449581-B2 6-Substituted pyrido-pyrimidines POCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-20070135458-A1 6-Substituted pyrido-pyrimidines CHEN JIAN J 2007-06-14 US disclosed
US-20070135458-A1 6-Substituted pyrido-pyrimidines CHEN JIAN J 2007-06-14 US disclosed
US-20070135458-A1 6-Substituted pyrido-pyrimidines CHEN JIAN J 2007-06-14 US disclosed
US-7169794-B2 6-substituted pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2007-01-30 US disclosed
US-7169794-B2 6-substituted pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2007-01-30 US disclosed
US-7169794-B2 6-substituted pyrido-pyrimidines ROCHE PALO ALTO LLC (US) 2007-01-30 US disclosed
EP-1361880-B1 6-SUBSTITUTED PYRIDO-PYRIMIDINES HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
US-20040116698-A1 6-Substituted pyrido-pyrimidines CHEN JIAN JEFFREY (US) 2004-06-17 US disclosed
US-6696566-B2 SELECTIVE P38 KINASE INHIBITORS RELATIVE TO CYCLIN-DEPENDENT KINASES AND TYROSINE KINASES SYNTEX (U.S.A.) LLC 2004-02-24 US disclosed
US-20030171584-A1 Treating p38 mediated disorders such as arthritis, Crohns disease, irritable bowel syndrome adult respiratory distress syndrome or chronic obstructive pulmonary disease. SYNTEX (U.S.A.) LLC 2003-09-11 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-20070135458-A1 6-Substituted pyrido-pyrimidines P2RX6, P2RX1, P2RX7 MAPK14 4250/4885WEE1 610/4885PDE3B 2449/4885
US-20030171584-A1 Treating p38 mediated disorders such as arthritis, Crohns disease, irritable bowel syndrome adult respiratory distress syndrome or chronic obstructive pulmonary disease. ARRB1, MAPK1, MAPK8 MAPK14 64/4885WEE1 2421/4885PDE3B 858/4885

“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.