SCHEMBL259890

SCHEMBL259890

O=c1n(Br)c2ccccc2n1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
APEX1 P27695 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
CHEK1 O14757 1/20 0.35
FYN P06241 1/20 0.35
PDGFRB P09619 1/20 0.35
PIM1 P11309 1/20 0.35
FGFR1 P11362 1/20 0.35
GRK5 P34947 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35
MAPK8 P45983 1/20 0.35
CDK8 P49336 1/20 0.35
NEK2 P51955 1/20 0.35
MAP2K1 Q02750 1/20 0.35
BTK Q06187 1/20 0.35
TYRO3 Q06418 1/20 0.35
TNK2 Q07912 1/20 0.35

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
SCHEMBL28595121 0.83 CYP1A2 (0.47) SMN1; SMN2CA12BRD4BRPF1CA9
SCHEMBL309987 0.69
SCHEMBL10442618 0.69 MEN1 (0.35) KDM4ESMN1; SMN2GSK3AGSK3BMAP2K1
SCHEMBL1055461 0.67 CA12 (0.57) KDM4ESMN1; SMN2CA12BRD4BRPF1
SCHEMBL31037170 0.67 CA12 (0.57) KDM4ESMN1; SMN2CA12BRD4BRPF1
SCHEMBL7647965 0.67 GPR3 (0.52) KDM4EL3MBTL1ALDH1A1POLBMAPT
SCHEMBL28935048 0.66
Ammonia Solution, Strong SCHEMBL28935087 0.66
SCHEMBL28345389 0.66 MAPK1 (0.57) SMN1; SMN2L3MBTL1ALDH1A1USP2HPGD
SCHEMBL6542105 0.66 DAO (0.59) KDM4ESMN1; SMN2DAOALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993588-B2 Carboxamide heterocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-03-31 US disclosed
EP-2029575-B1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
EP-1912653-B1 HETEROCYCLIC BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-01 EP disclosed
EP-2146572-B1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-11-20 EP disclosed
US-8507477-B2 3- and 6-quinolines with N-attached heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2013-08-13 US disclosed
EP-2134342-B1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-01-30 EP disclosed
EP-1799672-B1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-01-02 EP disclosed
EP-2091533-B1 CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-11-28 EP disclosed
WO-2006047196-A2 CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-05-04 WO disclosed
WO-2006044504-A1 CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-04-27 WO disclosed
WO-2006041830-A2 CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-04-20 WO disclosed
WO-2006031610-A2 BICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-03-23 WO disclosed
WO-2006031491-A2 TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-03-23 WO disclosed
WO-2006031606-A2 CARBOXAMIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-03-23 WO disclosed
WO-2006031513-A2 ARYL SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-03-23 WO disclosed
WO-2006029153-A2 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-03-16 WO disclosed
US-5811432-A Azaoxindole derivatives PFIZER INC (US) 1998-09-22 US disclosed
EP-0436333-A2 Azaoxindole derivatives PFIZER INC. (US) 1991-07-10 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-20140275017-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 KDM4E 3597/4885APEX1 4026/4885SMN1; SMN2 4468/4885

“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.