SCHEMBL4477532

SCHEMBL4477532

Cc1ccc(NC(=O)C=Cc2c(C#N)c3c(C)cc(C)nc3n2[C@H]2CCCc3ccccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
KMT2A Q03164 3/20 0.35
EGFR P00533 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
PTGS2 P35354 2/20 0.34
MAPT P10636 2/20 0.34
PTGS1 P23219 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
CD38 P28907 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4477525 1.00 ATM (0.36) ATMKMT2AEGFRMMP1MMP2
SCHEMBL4475604 0.95 KMT2A (0.37) KMT2APTGS2MAPTPTGS1SMN1; SMN2
SCHEMBL4475609 0.95 KMT2A (0.37) KMT2APTGS2MAPTPTGS1SMN1; SMN2
SCHEMBL4484206 0.95 POLB (0.37) KMT2ASMN1; SMN2LMNACD38KDM4E
SCHEMBL4484201 0.95 POLB (0.37) KMT2ASMN1; SMN2LMNACD38KDM4E
SCHEMBL4492162 0.95 LMNA (0.37) KMT2ASMN1; SMN2LMNACD38KDM4E
SCHEMBL4492169 0.95 LMNA (0.37) KMT2ASMN1; SMN2LMNACD38KDM4E
SCHEMBL4477274 0.94 LMNA (0.40) KMT2AEGFRMMP1MMP2MMP9
SCHEMBL4477265 0.94 LMNA (0.40) KMT2AEGFRMMP1MMP2MMP9
SCHEMBL4476774 0.94 KDM4E (0.38) KMT2AEGFRMMP1MMP2MMP9

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-7582651-B2 Pyrrolopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-01 US disclosed
US-20060167038-A1 Pyrrolopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-27 US disclosed
EP-1535922-A1 PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 EP 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-20060167038-A1 Pyrrolopyridine derivative and use thereof OPRD1, TRPV1, OPRM1 ATM 4757/4885KMT2A 3881/4885EGFR 1379/4885

“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.