SCHEMBL3337236

SCHEMBL3337236

O=C(NCc1ccccc1)Nc1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.66
▸ MAPK9 P45984 1/20 0.66
▸ MAPK10 P53779 1/20 0.66
▸ EGFR P00533 6/20 0.65
▸ INSR P06213 1/20 0.64
▸ IGF1R P08069 1/20 0.64
▸ PTK2 Q05397 1/20 0.64
▸ PTK2B Q14289 1/20 0.64
▸ PKMYT1 Q99640 1/20 0.64
▸ CCNK O75909 1/20 0.63
▸ CCNA2 P20248 1/20 0.63
▸ CDK2 P24941 1/20 0.63
▸ CCND3 P30281 1/20 0.63
▸ CDK9 P50750 1/20 0.63
▸ CDK6 Q00534 1/20 0.63
▸ SLC2A1 P11166 1/20 0.63
▸ MAP3K7 O43318 4/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ MAP2K1 Q02750 2/20 0.61
▸ STAT6 P42226 1/20 0.60

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
SCHEMBL13300731 0.92 MAPK8 (0.64) MAPK8MAPK9MAPK10EGFRINSR
SCHEMBL13300729 0.91 PKMYT1 (0.60) MAPK8MAPK9MAPK10EGFRINSR
SCHEMBL13300728 0.91 NTRK1 (0.71) MAPK8MAPK9MAPK10EGFRINSR
SCHEMBL13300730 0.91 CCNK (0.61) MAPK8MAPK9MAPK10EGFRINSR
SCHEMBL13320274 0.91 STAT6 (0.59) MAPK8MAPK9MAPK10EGFRINSR
SCHEMBL3335625 0.90 PKMYT1 (0.68) MAPK8MAPK9MAPK10EGFRINSR
SCHEMBL13300743 0.89 MAPK8 (0.71) MAPK8MAPK9MAPK10EGFRINSR
SCHEMBL13300727 0.89 MAPK8 (0.62) MAPK8MAPK9MAPK10EGFRINSR
SCHEMBL13300661 0.88 MAPK8 (0.70) MAPK8MAPK9MAPK10EGFRINSR
SCHEMBL13300747 0.86 PKMYT1 (0.71) MAPK8MAPK9MAPK10EGFRINSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144732-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. 2010-06-10 — — US disclosed
US-20100144732-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. 2010-06-10 — — US disclosed
EP-2099771-A1 PYRIMIDINE KINASE INHIBITORS Genentech, Inc. (US) 2009-09-16 — — EP disclosed
WO-2008079719-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. (US) 2008-07-03 — — WO disclosed
WO-2008079719-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. (US) 2008-07-03 — — 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 (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-20100144732-A1 PYRIMIDINE KINASE INHIBITORS DTYMK, DCK, TYMP MAPK8 532/4885MAPK9 256/4885MAPK10 584/4885

“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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