SCHEMBL4279641

SCHEMBL4279641

O=C(c1ccccc1)c1cc2cc(N(Cc3ccccc3)Cc3ccccc3)ncc2[nH]1.OC(c1ccccc1)c1cc2cc(N(Cc3ccccc3)Cc3ccccc3)ncc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HCAR3 P49019 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
KDM5A P29375 1/20 0.36
MAP2K1 Q02750 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ATM Q13315 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 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
SCHEMBL4268248 0.89 MEN1 (0.48) MEN1KMT2AHCAR3NPC1RAB9A
SCHEMBL5833448 0.79 HCAR3 (0.58) MEN1KMT2AHCAR3CYP1A2CYP2C9
SCHEMBL4271610 0.77 HCAR3 (0.49) MEN1KMT2AHCAR3CYP1A2CYP2C9
SCHEMBL4275766 0.77 HCAR3 (0.40) HCAR3CYP2C9TSHRKDM5ARXFP1
Hydrochloric Acid SCHEMBL4267002 0.73 HCAR3 (0.38) MEN1KMT2AHCAR3CYP1A2CYP2C9
SCHEMBL13660717 0.73 HCAR3 (0.43) MEN1KMT2AHCAR3CYP1A2CYP2C9
SCHEMBL4266823 0.73 KDM4E (0.58) MEN1KMT2AHCAR3NPC1RAB9A
Hydrochloric Acid SCHEMBL4279634 0.69 HCAR3 (0.38) MEN1KMT2AHCAR3CYP1A2CYP2C9
SCHEMBL4267461 0.69 HCAR3 (0.43) HCAR3EGFRALDH1A1
SCHEMBL13656951 0.69 HCAR3 (0.35) MEN1KMT2AHCAR3RXFP1ATM

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 MEN1 2705/4885KMT2A 1114/4885HCAR3 785/4885

“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.