SCHEMBL16700232

SCHEMBL16700232

CC(=O)c1ccc(Nc2ncnc3[nH]c4c(c23)CC(C(=O)NCCCS(C)(=O)=O)CC4)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.60
EGFR P00533 11/20 0.40
TTBK1 Q5TCY1 1/20 0.38
TTBK2 Q6IQ55 1/20 0.38
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ABL1 P00519 1/20 0.33
ABL2 P42684 1/20 0.33
TP53 P04637 1/20 0.33
GRM4 Q14833 1/20 0.32

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
SCHEMBL16700236 1.00 MKNK1 (0.60) MKNK1EGFRTTBK1TTBK2MAPT
SCHEMBL16705866 1.00 MKNK1 (0.60) MKNK1EGFRTTBK1TTBK2MAPT
SCHEMBL16700518 0.91 MKNK1 (0.60) MKNK1EGFR
SCHEMBL16700519 0.91 MKNK1 (0.60) MKNK1EGFR
SCHEMBL16700693 0.90 MKNK1 (0.56) MKNK1EGFRABL1
SCHEMBL16700695 0.90 MKNK1 (0.56) MKNK1EGFRABL1
SCHEMBL16699856 0.89 MKNK1 (0.59) MKNK1EGFRTP53
SCHEMBL16701015 0.89 MKNK1 (0.61) MKNK1EGFRABL1ABL2GRM4
SCHEMBL16699853 0.89 MKNK1 (0.59) MKNK1EGFRTP53
SCHEMBL16700045 0.88 MKNK1 (0.58) MKNK1EGFRABL1ABL2GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133426-A1 SUBSTITUTED PYRROLOPYRIMIDINES Bayer Pharma AG (DE) 2015-05-14 US claimed
US-20150133426-A1 SUBSTITUTED PYRROLOPYRIMIDINES Bayer Pharma AG (DE) 2015-05-14 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-20150133426-A1 SUBSTITUTED PYRROLOPYRIMIDINES DPYD, VEGFA, FLT1 MKNK1 2315/4885EGFR 1218/4885TTBK1 3006/4885

“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.