SCHEMBL993067

SCHEMBL993067

O=C(OCc1ccccc1)N1CCCC(CNc2cc(I)cc(Cl)n2)C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.55
GRIN2B Q13224 16/20 0.51
CYP2D6 P10635 4/20 0.49
CYP2C9 P11712 4/20 0.49
CYP3A4 P08684 3/20 0.49
USP30 Q70CQ3 1/20 0.43
MAPK1 P28482 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42

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
SCHEMBL5871026 0.77 GRIN2B (0.63) LCKGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL10154348 0.76 LCK (0.54) LCKGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL738354 0.76 LCK (0.54) LCKGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL13208750 0.75 SMN1; SMN2 (0.54) LCKGRIN2BCYP2D6CYP2C9JAK2
SCHEMBL2499417 0.75 SMN1; SMN2 (0.56) LCKGRIN2BCYP2D6CYP2C9USP30
SCHEMBL5364657 0.74 GRIN2B (0.64) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL934391 0.74 KCNH2 (0.38)
SCHEMBL5354187 0.74 GRIN2B (0.87) GRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL3272711 0.74 SMN1; SMN2 (0.58) LCKGRIN2BCYP2D6CYP2C9JAK2
SCHEMBL1320424 0.74 SMN1; SMN2 (0.58) LCKGRIN2BCYP2D6CYP2C9JAK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454257-B1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2013-08-21 EP disclosed
US-8435980-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2013-05-07 US disclosed
EP-2454257-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
WO-2011008915-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO disclosed
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 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-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 LCK 205/4885GRIN2B 2828/4885CYP2D6 2455/4885

“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.