SCHEMBL4271907

SCHEMBL4271907

O=C(NCc1cccs1)c1cc2ccnc(N(Cc3ccccc3)Cc3ccccc3)c2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
HPGD P15428 1/20 0.44
LMNA P02545 6/20 0.43
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MAPK1 P28482 1/20 0.41
CXCR3 P49682 1/20 0.41

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
SCHEMBL4268130 0.86 MAPT (0.57) MAPTLMNAGAAKDM4EMEN1
SCHEMBL4276295 0.83 MAPT (0.55) MAPTHPGDLMNAGAARAB9A
SCHEMBL4271896 0.80 ALDH1A1 (0.53) MAPTHPGDLMNAGAAPKM
SCHEMBL4268189 0.79 MAPT (0.49) MAPTHPGDLMNAGAATSHR
SCHEMBL4266769 0.76 MAPT (0.47) MAPTLMNAGAATSHRKDM4E
SCHEMBL4273631 0.73 MAPT (0.49) MAPTHPGDLMNAGAAKDM4E
SCHEMBL17149775 0.71 KDM4E (0.57) HPGDGAAPKMTSHRKDM4E
SCHEMBL4266812 0.71 MAPT (0.66) MAPTLMNAPKMKDM4ENPC1
SCHEMBL7494261 0.70 MAPK14 (0.49) HPGDLMNAGAAPKMTSHR
SCHEMBL4271596 0.69 KDM5A (0.43) MAPTLMNAGAAPKMTSHR

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 MAPT 4532/4885HPGD 3042/4885LMNA 3936/4885

“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.