SCHEMBL1129663

SCHEMBL1129663

O=c1ccnc(N2CCNCC2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
PLD1 Q13393 2/20 0.43
ADRB2 P07550 2/20 0.43
NCF1 P14598 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR3A P46098 1/20 0.42
HTR2C P28335 2/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
ADRB1 P08588 2/20 0.41
CYP1A2 P05177 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL803675 0.85 HSD17B10 (0.46) KDM4ECYP1A2HSD17B10
SCHEMBL7835747 0.84 HSD17B10 (0.49) KDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL497431 0.81 DCTPP1 (0.48) ALDH1A1HSD17B10
SCHEMBL24127173 0.74 ACHE (0.43) ALDH1A1
SCHEMBL14921731 0.73 MEN1 (0.36) HSD17B10
SCHEMBL20606156 0.70 KMT2A (0.41) KDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL3096843 0.69 KDM4E (0.48) HRH3PLD1ADRB2NCF1KDM4E
SCHEMBL18075521 0.69 MEN1 (0.37) ALDH1A1
SCHEMBL8809712 0.69 MAPT (0.60) KDM4EALDH1A1CYP1A2
SCHEMBL4456263 0.68 KDM4E (0.47) HRH3PLD1ADRB2NCF1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105814043-B Triazolopyridine derivatives as TNF active regulator UCB生物制药私人有限公司 2019-05-17 CN disclosed
CN-105814049-B Fused tricyclic imdazole derivatives as TNF active regulator UCB生物制药私人有限公司 2019-03-12 CN disclosed
CN-105814041-B Benzotriazole derivatives as TNF active regulator UCB生物制药私人有限公司 2018-12-18 CN disclosed
CN-105814065-B Imidazothiazole derivative as TNF active regulator UCB生物制药私人有限公司 2018-11-23 CN disclosed
CN-105814058-B Triazolo-pyridazine derivatives as TNF active regulator UCB生物制药私人有限公司 2018-11-23 CN disclosed
CN-105814047-B Fused tricyclic imdazole derivatives as TNF active regulators UCB生物制药私人有限公司 2018-10-19 CN disclosed
CN-105814022-B Condensed bicyclic heteroaromatic derivative as TNF active regulators UCB生物制药私人有限公司 2018-09-28 CN disclosed
CN-105814051-B Tetrahydroimidazopyridine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2018-09-25 CN disclosed
CN-105814054-B Condensed imidazole and pyrazole derivatives as TNF active regulators UCB生物制药私人有限公司 2018-09-25 CN disclosed
CN-105814025-B Tetrahydrobenzimidazderivative derivative as TNF active regulators UCB生物制药私人有限公司 2018-09-04 CN disclosed
CN-105814022-A Fused bicyclic heteroaromatic derivatives as modulators of tnf activity UCB生物制药私人有限公司 2016-07-27 CN disclosed
CN-105814048-A Fused tricyclic imidazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed
CN-105814045-A Imidazopyridine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed
CN-105814055-A Fused imidazole and pyrazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed
EP-2033963-B1 Substituted 2-(diaza-bicyclo-alkyl)-pyrimidone derivatives SANOFI AVENTIS (FR) 2011-02-16 EP disclosed
US-20090281083-A1 Combination Product ASTRAZENECA AB (SE) 2009-11-12 US disclosed
EP-1603910-B1 SUBSTITUTED 2-(DIAZA-BICYCLO-ALKYL)-PYRIMIDONE DERIVATIVES SANOFI AVENTIS (FR) 2009-08-26 EP disclosed
EP-1874774-A1 COMBINATION PRODUCT AstraZeneca AB (SE) 2008-01-09 EP disclosed
WO-2006112772-A1 COMBINATION PRODUCT ASTRAZENECA AB (SE) 2006-10-26 WO disclosed
EP-1136483-A1 2-[Piperazinyl]pyrimidone derivatives SANOFI-SYNTHELABO (FR) 2001-09-26 EP 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-20090281083-A1 Combination Product PAH, PTGIS, CYP11B2 HRH3 302/4885PLD1 2688/4885ADRB2 136/4885

“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.