SCHEMBL4267461

SCHEMBL4267461

OCc1cc2cc(N(Cc3ccccc3)Cc3ccccc3)ncc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.43
RHEB Q15382 4/20 0.38
BCHE P06276 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
F2 P00734 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
EGFR P00533 1/20 0.35
CSF1R P07333 1/20 0.35
GBA1 P04062 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL5833448 0.81 HCAR3 (0.58) HCAR3ALDH1A1
SCHEMBL4271610 0.79 HCAR3 (0.49) HCAR3ALDH1A1
SCHEMBL4275766 0.79 HCAR3 (0.40) HCAR3RHEBALDH1A1EGFRCSF1R
SCHEMBL13660717 0.79 HCAR3 (0.43) HCAR3ALDH1A1
SCHEMBL4267874 0.78 CYP2A6 (0.44) HCAR3ALDH1A1TAAR1GBA1NOS3
SCHEMBL4276588 0.78 HCAR3 (0.40) HCAR3TAAR1GBA1NOS3NOS1
SCHEMBL4268248 0.78 MEN1 (0.48) HCAR3ALDH1A1
SCHEMBL5832886 0.75 HCAR3 (0.40) HCAR3TAAR1GBA1NOS3NOS1
SCHEMBL4281599 0.75 GABRP (0.54) RHEBBCHEMAOAACHEMAOB
SCHEMBL4266823 0.74 KDM4E (0.58) HCAR3BCHEMAOAACHEMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608627-B2 I kappa B kinase inhibition; diabetes; (7-Chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol; N-Benzyl-7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-27 US disclosed
US-7608627-B2 I kappa B kinase inhibition; diabetes; (7-Chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol; N-Benzyl-7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-27 US disclosed
US-7608627-B2 I kappa B kinase inhibition; diabetes; (7-Chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol; N-Benzyl-7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-27 US disclosed
US-20080064715-A1 6-Azaindole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-13 US disclosed
US-20080064715-A1 6-Azaindole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-13 US disclosed
US-20080064715-A1 6-Azaindole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-13 US disclosed
EP-1732566-A2 6-AZAINDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP disclosed
WO-2005097129-A2 6-AZAINDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-20 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-20080064715-A1 6-Azaindole Compound RELA, NFKBIA, GPR119 HCAR3 785/4885RHEB 1783/4885BCHE 2317/4885

“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.