SCHEMBL310934

SCHEMBL310934

CCCc1cc(C2=CCNCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.44
KHK P50053 1/20 0.42
HTR2C P28335 8/20 0.41
SIGMAR1 Q99720 2/20 0.41
HTR6 P50406 3/20 0.41
HTR2A P28223 1/20 0.41
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39

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
SCHEMBL5064343 0.81 QDPR (0.49) QDPRKHKHTR2CSIGMAR1HTR6
SCHEMBL522135 0.78 QDPR (0.62) QDPRKHKHTR2CSIGMAR1HTR6
Hydrochloric Acid SCHEMBL31091839 0.77 QDPR (0.48) QDPRKHKHTR2CSIGMAR1HTR6
Hydrochloric Acid SCHEMBL521660 0.77 QDPR (0.61) QDPRKHKHTR2CSIGMAR1HTR6
SCHEMBL3817869 0.76 SIGMAR1 (0.50) QDPRKHKHTR2CSIGMAR1HTR6
SCHEMBL5817998 0.76 TDP1 (0.57) QDPRKHKHTR2CSIGMAR1HTR6
SCHEMBL4789631 0.72 HTR2C (0.56) QDPRKHKHTR2CSIGMAR1HTR6
SCHEMBL28538188 0.71 MAPT (0.49) QDPRKHKHTR2CSIGMAR1HTR6
SCHEMBL22906639 0.71 TGFBR1 (0.43) QDPRKHKHTR2CSIGMAR1HTR6
Hydrochloric Acid SCHEMBL9958496 0.71 HTR2C (0.57) QDPRKHKHTR2CSIGMAR1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 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 (2 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 QDPR 511/4885KHK 958/4885HTR2C 3172/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 QDPR 511/4885KHK 958/4885HTR2C 3172/4885

“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.