SCHEMBL13660482

SCHEMBL13660482

Clc1nccc2c1NC(CNCc1ccccc1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
ROCK1 Q13464 1/20 0.37
CXCR4 P61073 2/20 0.36
PKM P14618 1/20 0.36
CDK1 P06493 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
HTR2C P28335 1/20 0.36
MAN1B1 Q9UKM7 1/20 0.36
KDM4A O75164 1/20 0.34
KDM4B O94953 1/20 0.34
KDM5C P41229 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 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
SCHEMBL13660485 0.85 CHRM2 (0.39) CXCR4CD274
SCHEMBL13660713 0.82 LMNA (0.40) KDM4AKDM4BKDM5CKDM5B
SCHEMBL13660480 0.81 NOS3 (0.34) HTR2AMAPKAPK2
SCHEMBL13660644 0.74 CYP2D6 (0.39) PKM
SCHEMBL13660484 0.72 ALDH1A1 (0.39)
SCHEMBL9016163 0.62 HTR2A (0.62) HTR2ACXCR4HTR2CMAN1B1
SCHEMBL1162602 0.61 POLB (0.56) HTR2ACXCR4HTR2CMAN1B1
SCHEMBL1162536 0.61 POLB (0.56) HTR2ACXCR4HTR2CMAN1B1
SCHEMBL8854588 0.61 POLB (0.56) HTR2ACXCR4HTR2CMAN1B1
SCHEMBL23023087 0.60 CXCR4 (0.65) HTR2ACXCR4HTR2CMAN1B1

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 2 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-20080064715-A1 6-Azaindole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-13 US 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 HTR2A 2973/4885ROCK1 293/4885CXCR4 474/4885

“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.