SCHEMBL541185

SCHEMBL541185

c1ccn(-n2cccn2)c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.32
FBP1 P09467 1/20 0.31
FDPS P14324 1/20 0.30
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
G6PD P11413 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9464929 0.81 NOS1 (0.38) NOS1FBP1FDPSKDM4EALDH1A1
SCHEMBL1824256 0.74 NFKB1 (0.33) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL28704502 0.72 NFKB1 (0.32)
SCHEMBL15940234 0.65
SCHEMBL5967475 0.65 SMPD3 (0.32)
SCHEMBL4729301 0.65
SCHEMBL2067806 0.64 ADORA2A (0.33)
SCHEMBL8427375 0.64 CYP2A6 (0.31) FBP1KDM4EALDH1A1
SCHEMBL6071914 0.63 CYP19A1 (0.31)
SCHEMBL4296374 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220211706-A1 Methods and Compositions for Treating Cancer UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2022-07-07 US claimed
US-11285154-B2 Methods and compositions for treating cancer UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2022-03-29 US claimed
EP-3600302-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER United States Government as Represented by The Department of Veterans Affairs (US) 2020-02-05 EP claimed
US-20190231778-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2019-08-01 US claimed
WO-2018183762-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2018-10-04 WO claimed
US-20130274386-A1 DRIER COMPOSITION AND USE THEREOF PPG EUROPE BV (NL) 2013-10-17 US claimed
EP-2342200-B1 Compounds which selectively modulate the cb2 receptor BOEHRINGER INGELHEIM INT (DE) 2013-01-23 EP claimed
WO-2013001372-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF ACTIVATION OF REGULATORY T CELLS UNIVERSITY OF OSLO (NO) 2013-01-03 WO claimed
EP-1786801-B1 2-ARYLCARBAMOYL-INDOLES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2010-03-10 EP claimed
EP-1819721-A1 MICROCIN B17 ANALOGS AND METHODS FOR THEIR PREPARATION AND USE Plant Bioscience Limited (GB) 2007-08-22 EP claimed
WO-2006054102-A1 MICROCIN B17 ANALOGS AND METHODS FOR THEIR PREPARATION AND USE PLANT BIOSCIENCE LIMITED (GB) 2006-05-26 WO claimed
JP-4247072-A None JP disclosed
US-20260109694-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC (US) 2026-04-23 US disclosed
US-12599593-B2 Methods and compositions for treating non-ERK MAPK pathway inhibitor-resistant cancers BIOMED VALLEY DISCOVERIES, INC. (US) 2026-04-14 US disclosed
US-12582635-B2 Compositions and methods for treating cancer with atypical BRAF mutations BIOMED VALLEY DISCOVERIES, INC. (US) 2026-03-24 US disclosed
WO-2006054102-A1 MICROCIN B17 ANALOGS AND METHODS FOR THEIR PREPARATION AND USE PLANT BIOSCIENCE LIMITED (GB) 2006-05-26 WO disclosed
EP-1560827-A1 ANTI-INFECTIVE AGENTS Abbott Laboratories (US) 2005-08-10 EP disclosed
WO-2004041818-A1 ANTI-INFECTIVE AGENTS ABBOTT LABORATORIES (US) 2004-05-21 WO disclosed
US-5246914-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-09-21 US disclosed
JP-H04247072-A SULFONAMIDE, HERBICIDE AND PLANT GROWTH REGULATOR CONTAINING THE SAME BASF AG 1992-09-03 JP 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 (3 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-20260109694-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CCR10, SLC11A2, MSR1 NOS1 1532/4885FBP1 3150/4885FDPS 2924/4885
US-12582635-B2 Compositions and methods for treating cancer with atypical BRAF mutations BRAF, SRMS, MAPK3 NOS1 4618/4885FBP1 517/4885FDPS 1094/4885
US-12599593-B2 Methods and compositions for treating non-ERK MAPK pathway inhibitor-resistant cancers MOK, TTK, MAPK4 NOS1 3282/4885FBP1 1901/4885FDPS 4582/4885

“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.