SCHEMBL992857

SCHEMBL992857

O=C(O)C1CN(Cc2ccc(F)cc2)C1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 16/20 0.76
S1PR1 P21453 11/20 0.69
HTT P42858 1/20 0.61
S1PR3 Q99500 2/20 0.60
S1PR4 O95977 1/20 0.60
GRK5 P34947 1/20 0.56
CDK8 P49336 1/20 0.56

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
SCHEMBL3039458 0.87 S1PR5 (1.00) S1PR5S1PR1S1PR3
SCHEMBL16695243 0.84 S1PR5 (0.82) S1PR5S1PR1S1PR3S1PR4
SCHEMBL565212 0.84 S1PR5 (0.87) S1PR5S1PR1S1PR3S1PR4GRK5
SCHEMBL6994717 0.83 HTR2A (0.64) S1PR5
SCHEMBL3933586 0.83 S1PR5 (0.69) S1PR5S1PR1S1PR3S1PR4
SCHEMBL13215741 0.83 S1PR5 (0.91) S1PR5S1PR1S1PR3S1PR4
SCHEMBL9915003 0.83 S1PR5 (0.91) S1PR5S1PR1S1PR3S1PR4
SCHEMBL23232297 0.82 S1PR5 (0.64) S1PR5S1PR1HTTS1PR3S1PR4
SCHEMBL3040582 0.82 S1PR5 (0.69) S1PR5S1PR1S1PR3S1PR4
SCHEMBL3027737 0.81 S1PR5 (1.00) S1PR5S1PR1S1PR3S1PR4GRK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181246-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2015-11-10 US disclosed
US-20140357616-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2014-12-04 US disclosed
US-8822446-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2014-09-02 US disclosed
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-2560971-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbvie Inc. (US) 2013-02-27 EP disclosed
EP-2454257-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
WO-2011133388-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-10-27 WO disclosed
US-20110257152-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-10-20 US 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 (3 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 S1PR5 2992/4885S1PR1 2678/4885HTT 3816/4885
US-20140357616-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 S1PR5 2992/4885S1PR1 2678/4885HTT 3816/4885
US-20110257152-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 S1PR5 2992/4885S1PR1 2678/4885HTT 3816/4885

“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.