SCHEMBL4268366

SCHEMBL4268366

O=C(c1ccccc1)c1c[nH]c2cnccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
DYRK1A Q13627 3/20 0.48
GSK3B P49841 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
KDR P35968 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
NFATC1 O95644 2/20 0.44
HAT1 O14929 2/20 0.43
EP300 Q09472 2/20 0.43

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
SCHEMBL30066929 0.88 GPR84 (0.51) GPR84CYP2C19TP53SMN1; SMN2NPSR1
SCHEMBL2971915 0.85 TP53 (0.47) GPR84CYP2D6CYP2C9CYP2C19TP53
SCHEMBL30101234 0.84 DYRK1A (0.51) GPR84CYP2D6CYP2C9CYP2C19DYRK1A
SCHEMBL2052704 0.84 DYRK1A (0.51) GPR84CYP2D6CYP2C9CYP2C19DYRK1A
SCHEMBL13660647 0.82 DYRK1A (0.48) GPR84CYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL700094 0.81 GPR84 (0.63) GPR84TP53SMN1; SMN2NPSR1DYRK1A
SCHEMBL3279652 0.80 GPR84 (0.79) GPR84TP53SMN1; SMN2NPSR1MEN1
SCHEMBL29988308 0.80 GPR84 (0.79) GPR84TP53SMN1; SMN2NPSR1MEN1
SCHEMBL2628950 0.80 CYP2D6 (0.48) GPR84CYP2D6CYP2C9CYP2C19DYRK1A
SCHEMBL15753598 0.78 GSK3B (0.48) GPR84CYP2D6CYP2C9CYP2C19DYRK1A

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 GPR84 1480/4885CYP2D6 2213/4885CYP2C9 1914/4885

“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.