SCHEMBL6218599

SCHEMBL6218599

COc1cc(CCN)ccn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 5/20 0.73
LOX P28300 3/20 0.73
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.50
TAAR1 Q96RJ0 6/20 0.49
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
NFKB1 P19838 1/20 0.46
GLA P06280 1/20 0.46
MEN1 O00255 1/20 0.45
APEX1 P27695 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
MAOB P27338 2/20 0.42
CYP2A6 P11509 1/20 0.41

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
Hydrochloric Acid SCHEMBL12802921 0.98 LOXL2 (0.71) LOXL2LOXKDM4EATMTAAR1
Hydrochloric Acid SCHEMBL2022971 0.98 LOXL2 (0.71) LOXL2LOXKDM4EATMTAAR1
SCHEMBL21591576 0.89 LOXL2 (0.69) LOXL2LOXKDM4EATMTAAR1
SCHEMBL22336235 0.85 LOXL2 (0.68) LOXL2LOXKDM4EATMFFAR1
SCHEMBL449200 0.85 LOXL2 (1.00) LOXL2LOX
Hydrochloric Acid SCHEMBL463199 0.83 LOXL2 (0.96) LOXL2LOXMAOB
SCHEMBL12093687 0.83 LOXL2 (0.65) LOXL2LOXKDM4ETSHRLMNA
SCHEMBL2497237 0.81 LOXL2 (0.62) LOXL2LOXKDM4EFFAR1
SCHEMBL14486857 0.81 LOXL2 (0.62) LOXL2LOXFFAR1
SCHEMBL12093676 0.81 LOXL2 (0.62) LOXL2LOXFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
US-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2023-12-19 US disclosed
US-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2023-12-19 US disclosed
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2021-10-28 US disclosed
CN-105164118-A Antibacterial phthalide derivatives ACTELION PHARMACEUTICALS LTD 2015-12-16 CN disclosed
EP-2435019-B1 DODECA-2E,4E-DIENE AMIDES AND THEIR USE AS MEDICAMENTS AND COSMETICS WOLFF AUGUST GMBH & CO KG ARZNEIMITTEL DR (DE) 2015-09-23 EP disclosed
US-8921383-B2 Thiazolopyrimidine compounds HOFFMANN-LA ROCHE INC. (US) 2014-12-30 US disclosed
US-8921383-B2 Thiazolopyrimidine compounds HOFFMANN-LA ROCHE INC. (US) 2014-12-30 US disclosed
US-20120252777-A1 THIAZOLOPYRIMIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-10-04 US disclosed
US-20120252777-A1 THIAZOLOPYRIMIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-10-04 US disclosed
WO-2010136221-A1 DODECA-2E,4E-DIENE AMIDES AND THEIR USE AS MEDICAMENTS AND COSMETICS DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2010-12-02 WO disclosed
EP-1562933-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS Amgen Inc. (US) 2005-08-17 EP disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO 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-20120252777-A1 THIAZOLOPYRIMIDINE COMPOUNDS SYK, BTK, ZAP70 LOXL2 2997/4885LOX 2322/4885KDM4E 1023/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 LOXL2 4518/4885LOX 4854/4885KDM4E 4646/4885
US-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ADORA2A, ADORA1, ADORA3 LOXL2 2975/4885LOX 3775/4885KDM4E 3952/4885
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 LOXL2 2975/4885LOX 3775/4885KDM4E 3952/4885

“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.