SCHEMBL4849698

SCHEMBL4849698

O=C(c1ccccc1Cl)c1cc2cnc(NN3CCOCC3)nc2n1-c1c(F)cccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 3/20 0.40
MAPK10 P53779 3/20 0.40
AKT1 P31749 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK7 Q13164 1/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CASP1 P29466 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FGFR1 P11362 2/20 0.36
SRC P12931 2/20 0.36
PDGFRB P09619 1/20 0.36
SLC2A1 P11166 1/20 0.36

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
SCHEMBL4856638 0.91 MAPK13 (0.37) MAPK9MAPK10CYP1A2CYP2C19FGFR1
SCHEMBL4848068 0.90 WEE1 (0.39) MAPK7FGFR1SRCPDGFRBPDGFRA
SCHEMBL4848763 0.83 WEE1 (0.40) MAPK7FGFR1SRCPDGFRBPDGFRA
SCHEMBL4889580 0.80 WEE1 (0.39) MAPK9MAPK10FGFR1SRCPDGFRB
SCHEMBL4854187 0.79 AURKA (0.36) MAPK9MAPK10FGFR1SRCPDGFRB
SCHEMBL4852870 0.78 FGFR1 (0.38) KDM4EFGFR1SRCPDGFRBPDGFRA
SCHEMBL4852879 0.78 FGFR1 (0.38) KDM4EFGFR1SRCPDGFRBPDGFRA
SCHEMBL4848848 0.78 MAPK14 (0.41) FGFR1SRCPDGFRBPDGFRAAURKA
SCHEMBL4848856 0.78 MAPK14 (0.41) FGFR1SRCPDGFRBPDGFRAAURKA
SCHEMBL4856471 0.76 MAPK14 (0.42) FGFR1FGFR2MAPK14MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY 2008-06-12 US claimed
US-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY 2008-06-12 US disclosed
US-7319102-B1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-01-15 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 (1 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-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors DPYD, IL1B, IL6 MAPK9 2465/4885MAPK10 3147/4885AKT1 3243/4885

“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.