SCHEMBL1273372

SCHEMBL1273372

Cc1ccc(N=C(N)Nc2ccc(C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 1.00
GRIN2D O15399 5/20 1.00
GRIN3B O60391 5/20 1.00
GRIN1 Q05586 5/20 1.00
GRIN2A Q12879 5/20 1.00
GRIN2B Q13224 5/20 1.00
GRIN2C Q14957 5/20 1.00
GRIN3A Q8TCU5 5/20 1.00
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
LMNA P02545 1/20 0.60
CYP2D6 P10635 1/20 0.60
SLC6A2 P23975 1/20 0.60
KMT2A Q03164 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
HTR3E A5X5Y0 1/20 0.57
SLC22A2 O15244 1/20 0.57
SLC22A1 O15245 1/20 0.57
SLC22A3 O75751 1/20 0.57
HTR3B O95264 1/20 0.57

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
SCHEMBL27003079 0.91 SIGMAR1 (0.83) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17036821 0.88 SIGMAR1 (0.78) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2281406 0.80 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10941147 0.80 SIGMAR1 (0.67) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9179995 0.79 SIGMAR1 (0.66) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10825147 0.79 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17233866 0.79 SIGMAR1 (0.66) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6154569 0.79 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4983449 0.79 SIGMAR1 (0.66) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28515024 0.79 GRIN2D (0.66) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656551-A1 LEAK DETECTION METHOD USING MICROENCAPSULATED DYE PRECURSOR Honeywell International Inc. (US) 2006-05-17 EP claimed
US-20050282960-A1 Epoxy ebonite compositions 3L&T, INC. 2005-12-22 US claimed
WO-2005019816-A1 LEAK DETECTION METHOD USING MICROENCAPSULATED DYE PRECURSOR HONEYWELL INTERNATIONAL, INC. (US) 2005-03-03 WO claimed
US-20050042758-A1 Leak detection method using microencapsulated dye precursor HONEYWELL CORPORATION 2005-02-24 US claimed
US-20040143037-A1 Epoxy ebonite compositions 3L&T, INC. (US) 2004-07-22 US claimed
US-4486356-A BY-PRODUCT INHIBITION GESHURI LABORATORIES, LTD. (IL) 1984-12-04 US claimed
EP-0098034-A2 A process for producing n-phosphonomethylglycine derivatives and herbicidal compounds and compositions prepared thereby Geshuri Laboratories Ltd. (IL) 1984-01-11 EP claimed
US-10077336-B2 Functionalized highly branched melamine-polyamine polymers BASF SE (DE) 2018-09-18 US disclosed
EP-2545123-B1 POLYAMIDES RESISTANT TO HOT AGEING BASF SE (DE) 2018-05-16 EP disclosed
US-8466221-B2 Polyamides that resist heat-aging BASF SE (DE) 2013-06-18 US disclosed
EP-2545123-A1 POLYAMIDES RESISTANT TO HOT AGEING BASF SE (DE) 2013-01-16 EP disclosed
EP-2513201-A1 FUNCTIONALIZED HIGHLY BRANCHED MELAMINE-POLYAMINE POLYMERS BASF SE (DE) 2012-10-24 EP disclosed
US-20120252987-A1 FUNCTIONALIZED HIGHLY BRANCHED MELAMINE-POLYAMINE POLYMERS BASF SE (DE) 2012-10-04 US disclosed
US-4455425-A EPOXY RESINS, CURING AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1984-06-19 US disclosed
EP-0109838-A2 Light and heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 1984-05-30 EP disclosed
US-4424353-A INTERMEDIATES FOR ISOCYANATE ADDUCTS, EPOXY RESIN CURING AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1984-01-03 US disclosed
EP-0085913-A1 Reactive polymers containing carboxylic groups, process for their production and their use as curing agents in powder lacquers BAYER AG (DE) 1983-08-17 EP disclosed
EP-0073951-A1 1:2-Asymmetric chromium complex dyestuffs and process for preparing them and dying therewith BAYER AG (DE) 1983-03-16 EP disclosed
EP-0072501-A1 Asymmetric 1:2 chromium-complex dyestuffs BAYER AG (DE) 1983-02-23 EP disclosed
EP-0066230-A1 1:2-asymmetric dyestuffs of chromium BAYER AG (DE) 1982-12-08 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-20120252987-A1 FUNCTIONALIZED HIGHLY BRANCHED MELAMINE-POLYAMINE POLYMERS PARN, INMT, SRM SIGMAR1 1299/4885GRIN2D 4620/4885GRIN3B 4127/4885

“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.