SCHEMBL13660644

SCHEMBL13660644

Clc1nccc2c1NC(CNC1CCCC1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT5B Q4FZB7 2/20 0.36
KMT5C Q86Y97 2/20 0.36
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
OPRL1 P41146 1/20 0.32
NSD2 O96028 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
JAK2 O60674 2/20 0.30
JAK1 P23458 2/20 0.30
TYK2 P29597 2/20 0.30

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
SCHEMBL13660480 0.81 NOS3 (0.34)
SCHEMBL13660482 0.74 HTR2A (0.41) PKM
SCHEMBL13660485 0.73 CHRM2 (0.39) HPGDTSHRPOLBALDH1A1KDM4E
SCHEMBL13660713 0.72 LMNA (0.40) CYP2D6HPGDTSHRSMN1; SMN2LMNA
SCHEMBL13660484 0.69 ALDH1A1 (0.39) CYP2D6HPGDLMNAPOLBALDH1A1
SCHEMBL13660643 0.63 DPP4 (0.38) HPGDTSHRALDH1A1
SCHEMBL21740315 0.62 PARP1 (0.35) SMN1; SMN2LMNAHTTNPSR1ALDH1A1
SCHEMBL13656931 0.60 ALDH1A1 (0.40) CYP2D6HPGDTSHRSMN1; SMN2KMT5B
SCHEMBL4665070 0.60 KDM1A (0.55) LMNAGLAHTTNPSR1POLB
Hydrochloric Acid SCHEMBL4272184 0.60 GLA (0.41) CYP2D6HPGDTSHRSMN1; SMN2KMT5B

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 CYP2D6 2213/4885HPGD 3042/4885TSHR 704/4885

“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.