SCHEMBL4481877

SCHEMBL4481877

Cc1cc(C)c2c(C#N)c(/C=C/C(=O)O)n(Cc3ccccc3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
HTT P42858 4/20 0.50
HPGD P15428 4/20 0.50
MEN1 O00255 3/20 0.50
TSHR P16473 3/20 0.50
KDM4E B2RXH2 3/20 0.50
PSMD14 O00487 1/20 0.50
ALDH1A1 P00352 7/20 0.43
HIF1A Q16665 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
ADORA2B P29275 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
RECQL P46063 1/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39

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
SCHEMBL4481881 1.00 KMT2A (0.50) KMT2AHTTHPGDMEN1TSHR
SCHEMBL4487025 0.91 AR (0.41) KMT2AHTTHPGDMEN1TSHR
SCHEMBL4487020 0.91 AR (0.41) KMT2AHTTHPGDMEN1TSHR
SCHEMBL4470476 0.86 HPGD (0.55) KMT2AHTTHPGDMEN1TSHR
SCHEMBL4482614 0.86 SMN1; SMN2 (0.40) KMT2AHTTHPGDMEN1TSHR
SCHEMBL4482610 0.86 SMN1; SMN2 (0.40) KMT2AHTTHPGDMEN1TSHR
SCHEMBL4480577 0.86 ALDH1A1 (0.43) KMT2AHTTHPGDMEN1TSHR
SCHEMBL4480585 0.86 ALDH1A1 (0.43) KMT2AHTTHPGDMEN1TSHR
SCHEMBL4483315 0.85 SMN1; SMN2 (0.41) KMT2AHTTHPGDMEN1TSHR
SCHEMBL4483321 0.85 SMN1; SMN2 (0.41) KMT2AHTTHPGDMEN1TSHR

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 KMT2A 3881/4885HTT 2457/4885HPGD 75/4885

“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.