SCHEMBL4478620

SCHEMBL4478620

Cc1cc(C)c2c(C#N)c(/C=C/C(=O)Nc3ccc(F)c(F)c3)n([C@H]3CCCc4ccccc43)c2n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
MAPT P10636 3/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 3/20 0.32
NPC1 O15118 2/20 0.32
KCNJ6 P48051 2/20 0.31
KCNJ5 P48544 2/20 0.31
KCNJ3 P48549 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CD38 P28907 2/20 0.31
KDM4E B2RXH2 2/20 0.31
NFKB1 P19838 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL4478625 1.00 KMT2A (0.33) KMT2AALDH1A1CA12CA9NPSR1
SCHEMBL4476774 0.93 KDM4E (0.38) KMT2AMAPTLMNASMN1; SMN2CD38
SCHEMBL4476780 0.93 KDM4E (0.38) KMT2AMAPTLMNASMN1; SMN2CD38
SCHEMBL4470375 0.92 RAB9A (0.36) KMT2AALDH1A1MAPTTP53POLB
SCHEMBL4470380 0.92 RAB9A (0.36) KMT2AALDH1A1MAPTTP53POLB
SCHEMBL4477274 0.91 LMNA (0.40) KMT2AALDH1A1NPSR1MAPTLMNA
SCHEMBL4477265 0.91 LMNA (0.40) KMT2AALDH1A1NPSR1MAPTLMNA
SCHEMBL4477525 0.91 ATM (0.36) KMT2AALDH1A1MAPTLMNANPC1
SCHEMBL4477532 0.91 ATM (0.36) KMT2AALDH1A1MAPTLMNANPC1
SCHEMBL4475604 0.91 KMT2A (0.37) KMT2AALDH1A1MAPTLMNANPC1

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 3881/4885ALDH1A1 1363/4885CA12 4253/4885

“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.