SCHEMBL16795078

SCHEMBL16795078

Brc1ccc(C2=CCN(C3COC3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 3/20 0.40
▸ SIGMAR1 Q99720 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ QDPR P09417 1/20 0.35
▸ PARP1 P09874 3/20 0.34
▸ ESRRB O95718 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESRRG P62508 1/20 0.34

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
SCHEMBL20934727 0.84 SLC18A3 (0.40) SLC18A3KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL20919593 0.79 CYP1B1 (0.38) SLC18A3KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL14930370 0.77 BTK (0.35) SLC18A3QDPRPARP1
SCHEMBL16795094 0.76 LPL (0.42) SLC18A3
SCHEMBL14925547 0.74 SOS1 (0.38) SLC18A3PARP1
SCHEMBL17998818 0.74 BTK (0.42) KDM4EALDH1A1CYP1A2CYP3A4GAA
SCHEMBL31706770 0.71 ALDH1A1 (0.42) SLC18A3KDM4EALDH1A1MAPTPARP1
SCHEMBL20842182 0.70 SLC18A3 (0.47) SLC18A3SIGMAR1QDPRPARP1ESRRB
SCHEMBL24981840 0.70 CTSC (0.52) —
SCHEMBL22306951 0.69 SOS1 (0.31) —

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 SLC18A3 4435/4885SIGMAR1 3994/4885HTR2C 1612/4885

“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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