SCHEMBL16795077

SCHEMBL16795077

Cn1c(CCl)cc2c(Cl)nccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.41
▸ CYP3A4 P08684 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RHEB Q15382 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ BCL6 P41182 5/20 0.32
▸ DHFR P00374 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ DYRK1A Q13627 2/20 0.31
▸ DYRK3 O43781 1/20 0.31
▸ CLK1 P49759 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
SCHEMBL16809631 0.85 RHEB (0.46) RXFP1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL23474006 0.77 CYP3A4 (0.48) RXFP1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL18372276 0.76 L3MBTL1 (0.43) CYP3A4LMNAMAPTMAPK1
SCHEMBL29196668 0.76 RXFP1 (0.42) RXFP1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL30855433 0.76 RXFP1 (0.42) RXFP1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL23478503 0.73 RXFP1 (0.41) RXFP1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL31700779 0.73 PIM1 (0.44) GABRA1GABRG2GABRB3GABRA5
SCHEMBL23479477 0.73 RXFP1 (0.41) RXFP1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL16331628 0.71 HPGD (0.50) RXFP1CYP3A4CYP1A2LMNAMAPT
SCHEMBL30067097 0.71 RXFP1 (0.45) RXFP1CYP2C19BCL6LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643967-B2 Pyrrolo[3,2-c]pyridine derivatives as TLR inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-09 — — US disclosed
US-9643967-B2 Pyrrolo[3,2-c]pyridine derivatives as TLR inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-09 — — US disclosed
US-9643967-B2 Pyrrolo[3,2-c]pyridine derivatives as TLR inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-09 — — US disclosed
US-20170008885-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-12 — — US disclosed
US-20170008885-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-12 — — US disclosed
US-20170008885-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-12 — — US disclosed
EP-3080124-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2016-10-19 — — EP disclosed
WO-2015088045-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-18 — — WO disclosed
WO-2015088045-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-18 — — WO 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-20170008885-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS TLR9, TLR7, TLR1 RXFP1 580/4885CYP3A4 3621/4885CYP1A2 2940/4885

“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.

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