SCHEMBL2473550

SCHEMBL2473550

Cc1cccc(C)c1CNc1nccc2c(C)c(C)[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 1.00
CYP2C9 P11712 10/20 1.00
CYP2C19 P33261 10/20 1.00
CYP1A2 P05177 9/20 1.00
CYP2D6 P10635 6/20 0.64
AHR P35869 1/20 0.47
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
EGFR P00533 1/20 0.36
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL2474287 0.85 CYP3A4 (0.74) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL2473155 0.82 CYP1A2 (0.70) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL1738610 0.81 CYP1A2 (0.68) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL2476684 0.78 CYP3A4 (0.64) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL2478653 0.76 CYP3A4 (0.61) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL2473147 0.75 CYP3A4 (0.60) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL2475800 0.71 CYP1A2 (0.55) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL2470230 0.67 CYP1A2 (0.50) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL2474644 0.67 CYP1A2 (0.50) CYP3A4CYP2C9CYP2C19CYP1A2MAPT
SCHEMBL5341593 0.67 AHR (1.00) CYP3A4CYP2C9CYP2C19CYP1A2AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1787991-B2 PYRROLO[2,3-c]PYRIDINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE TAKEDA PHARMACEUTICALS CO (JP) 2020-06-24 EP disclosed
US-20180148446-A1 PYRROLO [2,3-c] PYRIDINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE TAKEDA PHARMACEUTICALS CO (JP) 2018-05-31 US disclosed
EP-1787991-B1 PYRROLO[2,3-c]PYRIDINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE TAKEDA PHARMACEUTICAL (JP) 2011-10-05 EP disclosed
US-20070293532-A1 Pyrrolo [2,3-C] Pyridine Compound, Process for Producing the Same, and Use TAKEDA PHARMACEUTICAL COMPAN6Y LIMITED (JP) 2007-12-20 US disclosed
EP-1787991-A1 PYRROLOÝ2,3-c¨PYRIDINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2007-05-23 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 (2 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-20180148446-A1 PYRROLO [2,3-c] PYRIDINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE PGA5, ATP6AP1, PPA1 CYP3A4 114/4885CYP2C9 391/4885CYP2C19 99/4885
US-20070293532-A1 Pyrrolo [2,3-C] Pyridine Compound, Process for Producing the Same, and Use PGA5, ATP6AP1, PPA1 CYP3A4 114/4885CYP2C9 391/4885CYP2C19 99/4885

“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.