SCHEMBL2642671

SCHEMBL2642671

NCc1ccc(CN)nc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 9/20 0.44
HRH3 Q9Y5N1 1/20 0.42
ADRB2 P07550 1/20 0.40
RRM2 P31350 1/20 0.39
ABAT P80404 1/20 0.39
CYP2A6 P11509 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
LOX P28300 1/20 0.35
LOXL3 P58215 1/20 0.35
KEAP1 Q14145 1/20 0.35
ASIC3 Q9UHC3 1/20 0.35
ROCK1 Q13464 1/20 0.34

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
SCHEMBL1829134 0.84 ABAT (0.34) HRH3ADRB2RRM2ABAT
SCHEMBL12927610 0.84 LOXL2 (0.40) LOXL2HRH3ADRB2RRM2ABAT
SCHEMBL13825298 0.84 LOXL2 (0.40) LOXL2HRH3ADRB2RRM2ABAT
SCHEMBL10227814 0.84 LOXL2 (0.34) LOXL2HRH3ADRB2ABAT
SCHEMBL2600004 0.84 HRH3 (0.50) HRH3TAAR1
SCHEMBL12249672 0.84 HRH3 (0.42) LOXL2HRH3ADRB2RRM2ABAT
SCHEMBL2642670 0.84 ADRB2 (0.32) LOXL2HRH3ADRB2ABAT
SCHEMBL2643114 0.84 PIK3CA (0.41) LOXL2HRH3ADRB2RRM2ABAT
SCHEMBL2691840 0.81 HRH3 (0.44) LOXL2HRH3ADRB2TAAR1
SCHEMBL13707710 0.79 LOXL2 (0.34) LOXL2TAAR1LOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834513-B2 Benzylamine derivatives Kalvista Pharmceuticals Limited (GB) 2017-12-05 US claimed
US-20170253561-A1 Benzylamine Derivatives KALVISTA PHARMACEUTICALS LTD (GB) 2017-09-07 US claimed
US-9670157-B2 Benzylamine derivatives KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-06-06 US claimed
EP-2943483-B1 BENZYLAMINE DERIVATIVES KALVISTA PHARMACEUTICALS LTD (GB) 2017-03-01 EP claimed
US-20160039752-A1 BENZYLAMINE DERIVATIVES KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-02-11 US claimed
EP-2943483-A1 BENZYLAMINE DERIVATIVES Kalvista Pharmaceuticals Limited (GB) 2015-11-18 EP claimed
WO-2014108679-A1 BENZYLAMINE DERIVATIVES KALVISTA PHARMACEUTICALS LIMITED (GB) 2014-07-17 WO claimed
US-11472811-B2 Pyrazolotriazolopyrimidine derivatives as A2A receptor antagonist BEIGENE, LTD. (KY) 2022-10-18 US disclosed
CN-112313234-B Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists 百济神州有限公司 2022-04-29 CN disclosed
US-20210198267-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-07-01 US disclosed
CN-105143201-B Benzyl amine derivative 卡尔维斯塔制药有限公司 2019-02-22 CN disclosed
US-9834513-B2 Benzylamine derivatives Kalvista Pharmceuticals Limited (GB) 2017-12-05 US disclosed
US-20170253561-A1 Benzylamine Derivatives KALVISTA PHARMACEUTICALS LTD (GB) 2017-09-07 US disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US disclosed
US-20100016610-A1 FRICTIONLESS MOLECULAR ROTARY MOTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2010-01-21 US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
WO-2008096360-A2 FRICTIONLESS MOLECULAR ROTARY MOTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2008-08-14 WO disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP disclosed
US-3940441-A BACTERICIDE STERLING DRUG INC. (US) 1976-02-24 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 (7 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-20210198267-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA2B LOXL2 3952/4885HRH3 694/4885ADRB2 30/4885
US-11472811-B2 Pyrazolotriazolopyrimidine derivatives as A2A receptor antagonist ADORA2A, ADORA3, ADORA2B LOXL2 3952/4885HRH3 694/4885ADRB2 30/4885
US-20100016610-A1 FRICTIONLESS MOLECULAR ROTARY MOTORS DYNLL2, ATXN2L, DYNLL1 LOXL2 3736/4885HRH3 1958/4885ADRB2 3285/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 LOXL2 2252/4885HRH3 3819/4885ADRB2 1744/4885
US-20160039752-A1 BENZYLAMINE DERIVATIVES BDKRB1, BDKRB2, KLKB1 LOXL2 2032/4885HRH3 36/4885ADRB2 345/4885
US-20170253561-A1 Benzylamine Derivatives BDKRB1, BDKRB2, KLKB1 LOXL2 2032/4885HRH3 36/4885ADRB2 345/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 LOXL2 2232/4885HRH3 3835/4885ADRB2 1710/4885

“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.