SCHEMBL16809631

SCHEMBL16809631

Cn1c(CO)cc2c(Cl)nccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RHEB Q15382 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.40
▸ RECQL P46063 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ BCL6 P41182 8/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RORC P51449 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ DHFR P00374 1/20 0.31
▸ COMT P21964 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
SCHEMBL16795077 0.85 RXFP1 (0.41) RHEBRXFP1BCL6CYP1A2CYP3A4
SCHEMBL23474006 0.76 CYP3A4 (0.48) RXFP1NPC1RAB9ABCL6CYP1A2
SCHEMBL18372276 0.75 L3MBTL1 (0.43) NPC1RAB9AKMT2AMEN1CYP3A4
SCHEMBL29196668 0.75 RXFP1 (0.42) RXFP1BCL6CYP1A2CYP3A4CYP2C9
SCHEMBL30855433 0.75 RXFP1 (0.42) RXFP1BCL6CYP1A2CYP3A4CYP2C9
SCHEMBL23862827 0.73 RHEB (0.48) RHEBKMT2AMEN1RORCALDH1A1
SCHEMBL12527325 0.73 RHEB (0.58) RHEBRXFP1NPC1RAB9AKMT2A
SCHEMBL16331628 0.73 HPGD (0.50) RXFP1NPC1KMT2ACYP1A2CYP3A4
SCHEMBL23479477 0.72 RXFP1 (0.41) RXFP1BCL6CYP1A2CYP3A4CYP2C9
SCHEMBL23478503 0.72 RXFP1 (0.41) RXFP1KMT2AMEN1BCL6CYP1A2

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
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
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 RHEB 1881/4885RXFP1 580/4885RECQL 2777/4885

“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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