SCHEMBL13660717

SCHEMBL13660717

CC(=N)c1cc2cc(N(Cc3ccccc3)Cc3ccccc3)ncc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.43
RXFP1 Q9HBX9 2/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SRD5A2 P31213 2/20 0.37
SRD5A1 P18405 1/20 0.37
PYGL P06737 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ACKR3 P25106 1/20 0.35
FLT3 P36888 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
SCHEMBL4271610 0.88 HCAR3 (0.49) HCAR3RXFP1ATMMEN1KMT2A
SCHEMBL5833448 0.85 HCAR3 (0.58) HCAR3RXFP1ATMMEN1KMT2A
SCHEMBL13656953 0.83 HCAR3 (0.36) HCAR3RXFP1ATMMEN1KMT2A
Hydrochloric Acid SCHEMBL4279630 0.82 HCAR3 (0.35) HCAR3RXFP1ATMMEN1KMT2A
Hydrochloric Acid SCHEMBL4279631 0.82 HCAR3 (0.35) HCAR3RXFP1ATMMEN1KMT2A
SCHEMBL4268248 0.82 MEN1 (0.48) HCAR3RXFP1ATMMEN1KMT2A
Hydrochloric Acid SCHEMBL4279634 0.81 HCAR3 (0.38) HCAR3RXFP1ATMMEN1KMT2A
SCHEMBL4266823 0.81 KDM4E (0.58) HCAR3RXFP1ATMMEN1KMT2A
SCHEMBL4267461 0.79 HCAR3 (0.43) HCAR3ALDH1A1
SCHEMBL4275766 0.78 HCAR3 (0.40) HCAR3RXFP1ATMKDM4EALDH1A1

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 HCAR3 785/4885RXFP1 325/4885ATM 1158/4885

“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.