SCHEMBL310239

SCHEMBL310239

COc1cc(C2CCN(CCF)CC2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.49
DRD2 P14416 4/20 0.47
KCNH2 Q12809 3/20 0.46
CHEK1 O14757 1/20 0.46
CARM1 Q86X55 2/20 0.45
HTR4 Q13639 4/20 0.45
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR1D P28221 1/20 0.43
ADRA1B P35368 1/20 0.43
HTR2B P41595 1/20 0.43
HTR3A P46098 1/20 0.43
TLR9 Q9NR96 5/20 0.43
TLR7 Q9NYK1 4/20 0.43
TLR4 O00206 1/20 0.42
TLR3 O15455 1/20 0.42
TLR8 Q9NR97 1/20 0.42
SLC6A4 P31645 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
SCHEMBL28137144 0.92 QDPR (0.47) QDPRDRD2KCNH2CHEK1CARM1
SCHEMBL28328504 0.90 DRD2 (0.47) QDPRDRD2KCNH2CHEK1CARM1
SCHEMBL310593 0.88 DRD2 (0.62) QDPRDRD2KCNH2HTR4CHRM4
SCHEMBL519694 0.87 QDPR (0.52) QDPRDRD2KCNH2CHEK1HTR4
SCHEMBL2226718 0.86 CAMK2D (0.49) QDPRDRD2KCNH2CARM1HTR4
SCHEMBL20725583 0.85 QDPR (0.49) QDPRDRD2KCNH2CHEK1HTR4
SCHEMBL28869444 0.84 QDPR (0.48) QDPRDRD2KCNH2HTR4CHRM4
SCHEMBL311689 0.84 TLR9 (0.47) QDPRDRD2KCNH2HTR4CHRM4
SCHEMBL520554 0.83 QDPR (0.68) QDPRKCNH2CHEK1HTR1DHTR2B
SCHEMBL29517150 0.83 QDPR (0.68) QDPRKCNH2CHEK1HTR1DHTR2B

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 27 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
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 US disclosed
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US 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
WO-2015158310-A1 TYROSINE KINASE INHIBITOR AND USES THEREOF 山东轩竹医药科技有限公司 2015-10-22 WO disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 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
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO 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 (4 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-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof EGFR, ERBB2, ABL1 QDPR 2375/4885DRD2 4687/4885KCNH2 3262/4885
US-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 QDPR 511/4885DRD2 4179/4885KCNH2 1034/4885
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof EGFR, ERBB2, ABL1 QDPR 2375/4885DRD2 4687/4885KCNH2 3262/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 QDPR 511/4885DRD2 4179/4885KCNH2 1034/4885

“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.