SCHEMBL310593

SCHEMBL310593

CCCN1CCC(c2ccc(N)c(OC)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.62
HTR4 Q13639 4/20 0.57
SLC6A4 P31645 1/20 0.56
QDPR P09417 1/20 0.50
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
ADRA2C P18825 1/20 0.49
CHRM3 P20309 1/20 0.49
HTR1D P28221 1/20 0.49
ADRA1B P35368 1/20 0.49
HTR2B P41595 1/20 0.49
HTR3A P46098 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
KCNH2 Q12809 2/20 0.47

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
SCHEMBL20725583 0.89 QDPR (0.49) DRD2HTR4SLC6A4QDPRCHRM4
SCHEMBL310348 0.88 DRD2 (0.54) DRD2HTR4SLC6A4SIGMAR1
SCHEMBL310239 0.88 QDPR (0.49) DRD2HTR4SLC6A4QDPRCHRM4
SCHEMBL519694 0.88 QDPR (0.52) DRD2HTR4SLC6A4QDPRCHRM4
SCHEMBL28137144 0.86 QDPR (0.47) DRD2HTR4QDPRCHRM4CHRM5
SCHEMBL2206957 0.86 DRD2 (0.62) DRD2SIGMAR1
SCHEMBL28869444 0.85 QDPR (0.48) DRD2HTR4QDPRCHRM4CHRM5
SCHEMBL2226718 0.85 CAMK2D (0.49) DRD2HTR4QDPRCHRM4CHRM5
SCHEMBL311689 0.85 TLR9 (0.47) DRD2HTR4QDPRCHRM4CHRM5
SCHEMBL29517150 0.84 QDPR (0.68) QDPRHTR1DHTR2BHTR3AKCNH2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106536503-B A kind of tyrosine kinase inhibitor and application thereof 北京澳合药物研究院有限公司 2019-09-06 CN disclosed
CN-106536503-A Tyrosine kinase inhibitor and uses thereof 山东轩竹医药科技有限公司 2017-03-22 CN disclosed
EP-2188292-B1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GLAXOSMITHKLINE IP DEV LTD (GB) 2013-05-29 EP disclosed
EP-2188292-B1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GLAXOSMITHKLINE IP DEV LTD (GB) 2013-05-29 EP disclosed
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-7981903-B2 2-[2-{phenylamino}-1H-pyrrolo[2,3-D]pyrimidin-4-yl)amino] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-07-19 US disclosed
WO-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 WO disclosed
WO-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 WO disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO 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 (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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 DRD2 4179/4885HTR4 2757/4885SLC6A4 3709/4885

“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.