SCHEMBL1095618

SCHEMBL1095618

CC(=O)c1ccc(Nc2ncnc(N)c2C=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 2/20 0.55
TTBK2 Q6IQ55 2/20 0.55
EGFR P00533 4/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PRMT1 Q99873 2/20 0.43
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
TP53 P04637 1/20 0.42
ERBB2 P04626 3/20 0.41
RAF1 P04049 1/20 0.41
CSF1R P07333 1/20 0.41
BRAF P15056 1/20 0.41
DDR1 Q08345 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
SCHEMBL1105400 0.85 EGFR (0.60) TTBK1TTBK2EGFRERBB2
SCHEMBL1096503 0.85 EGFR (0.60) TTBK1TTBK2EGFRERBB2
SCHEMBL1094985 0.83 EGFR (0.49) TTBK1TTBK2EGFRPRMT1ERBB2
SCHEMBL1094986 0.83 EGFR (0.49) TTBK1TTBK2EGFRPRMT1ERBB2
SCHEMBL1095605 0.80 EGFR (0.50) TTBK1TTBK2EGFRMAPTSMN1; SMN2
SCHEMBL1095423 0.80 EGFR (0.59) TTBK1TTBK2EGFRMAPTERBB2
SCHEMBL1095080 0.80 EGFR (0.56) TTBK1TTBK2EGFRERBB2MKNK1
SCHEMBL4734704 0.80 EGFR (0.58) TTBK1TTBK2EGFRMAPTERBB2
SCHEMBL678872 0.80 AURKB (0.59) EGFRNPC1RAB9APRMT1PIK3CA
SCHEMBL1095431 0.80 EGFR (0.51) EGFRNPC1RAB9AMAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153791-B2 substituted pyrimidine compoundssuch as 4-amino-6-(3-chloro-4-fluoro-phenylamino)-pyrimidine-5-carbaldehyde O-methyl oxime, used for treating, preventing or ameliorating a chronic or acute protein kinase mediated diseasea, disorders or conditions JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-10 US claimed
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 US claimed
US-8367825-B2 Substituted pyrimidinyl oxime kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-05 US disclosed
US-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors BATTISTA KATHLEEN A (US) 2012-06-21 US disclosed
US-8153791-B2 substituted pyrimidine compoundssuch as 4-amino-6-(3-chloro-4-fluoro-phenylamino)-pyrimidine-5-carbaldehyde O-methyl oxime, used for treating, preventing or ameliorating a chronic or acute protein kinase mediated diseasea, disorders or conditions JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-10 US disclosed
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 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-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors MAP3K2, MAP3K1, MAP3K20 TTBK1 280/4885TTBK2 296/4885EGFR 1201/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 TTBK1 280/4885TTBK2 296/4885EGFR 1201/4885

“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.