SCHEMBL4466725

SCHEMBL4466725

Cc1cc(C)c2c(C#N)c(C=CC(=O)NCCC(C)(C)C)n(C(c3ccc(F)cc3)c3ccc(F)cc3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.32
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
MAOB P27338 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
ESR1 P03372 1/20 0.30
HDAC1 Q13547 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL4466718 1.00 SMN1; SMN2 (0.35) SMN1; SMN2LMNATP53RAB9AMAOA
SCHEMBL4478457 0.92 POLB (0.39) SMN1; SMN2TP53RAB9APOLBNPSR1
SCHEMBL4478451 0.92 POLB (0.39) SMN1; SMN2TP53RAB9APOLBNPSR1
SCHEMBL4491288 0.88 POLB (0.38) SMN1; SMN2LMNARAB9ACYP1A2CYP3A4
SCHEMBL4491294 0.88 POLB (0.38) SMN1; SMN2LMNARAB9ACYP1A2CYP3A4
SCHEMBL4469610 0.84 CYP1A2 (0.36) SMN1; SMN2RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL4469607 0.84 CYP1A2 (0.36) SMN1; SMN2RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL4473544 0.82 CYP1A2 (0.36) SMN1; SMN2LMNATP53RAB9ACYP1A2
SCHEMBL4475755 0.81 SMN1; SMN2 (0.39) SMN1; SMN2LMNARAB9ACYP1A2CYP3A4
SCHEMBL4475763 0.81 SMN1; SMN2 (0.39) SMN1; SMN2LMNARAB9ACYP1A2CYP3A4

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 SMN1; SMN2 3351/4885LMNA 4879/4885TP53 4488/4885

“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.