SCHEMBL1021702

SCHEMBL1021702

Cc1cc(C)c2nn[nH]c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
POLB P06746 2/20 0.36
CYP2C9 P11712 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
PARP1 P09874 2/20 0.35
RAD52 P43351 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IDO1 P14902 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL3392523 0.79 POLB (0.34) POLBCYP2C9ALDH1A1IDO1LMNA
SCHEMBL8624057 0.79 SELL (0.39) POLBCYP2C9KDM4EALDH1A1KMT2A
SCHEMBL14468054 0.79 HTT (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27981696 0.79 HRH4 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14468053 0.79 GRIN2D (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1022548 0.72 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17950545 0.72 PARP1 (0.54) HSD17B10GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5702709 0.71 ADORA3 (0.35) KDM4EKMT2ALMNAGAA
SCHEMBL1019380 0.71 CYP1A2 (0.32) KMT2A
SCHEMBL107037 0.70 MGAM (0.40) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 US disclosed
WO-2023157722-A1 POLYMERIZABLE COMPOSITION AND ANTIBACTERIAL MATERIAL パナソニックIPマネジメント株式会社 2023-08-24 WO disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 US disclosed
WO-2022181492-A1 POLYMERIZABLE COMPOSITION AND ANTIBACTERIAL MATERIAL パナソニックIPマネジメント株式会社 2022-09-01 WO disclosed
EP-2121858-B1 AQUEOUS COATING COMPOSITION HAVING REDUCED PLATE OUT ARKEMA INC (US) 2013-10-16 EP disclosed
US-8450402-B2 Method for reducing plate out of aqueous coating compositions ARKEMA INC. (US) 2013-05-28 US disclosed
US-8450401-B2 Aqueous coating composition having reduced plate out ARKEMA INC. (US) 2013-05-28 US disclosed
EP-2121824-B8 METHOD FOR REDUCING PLATE OUT OF AQUEOUS COATING COMPOSITIONS ARKEMA INC (US) 2011-02-23 EP disclosed
EP-2121824-B1 METHOD FOR REDUCING PLATE OUT OF AQUEOUS COATING COMPOSITIONS ARKEMA INC (US) 2011-01-12 EP disclosed
US-20100324169-A1 AQUEOUS COATING COMPOSITION HAVING REDUCED PLATE OUT DOW GLOBAL TECHNOLOGIES, INC (US) 2010-12-23 US disclosed
US-20100319579-A1 METHOD FOR REDUCING PLATE OUT OF AQUEOUS COATING COMPOSITIONS ARKEMA INC. 2010-12-23 US disclosed
EP-2121858-A2 AQUEOUS COATING COMPOSITION HAVING REDUCED PLATE OUT DOW GLOBAL TECHNOLOGIES INC. (US) 2009-11-25 EP disclosed
EP-2121824-A2 METHOD FOR REDUCING PLATE OUT OF AQUEOUS COATING COMPOSITIONS DOW GLOBAL TECHNOLOGIES INC. (US) 2009-11-25 EP disclosed
WO-2008100608-A2 AQUEOUS COATING COMPOSITION HAVING REDUCED PLATE OUT DOW GLOBAL TECHNOLOGIES, INC (US) 2008-08-21 WO disclosed
WO-2008100607-A2 METHOD FOR REDUCING PLATE OUT OF AQUEOUS COATING COMPOSITIONS DOW GLOBAL TECHNOLOGIES, INC (US) 2008-08-21 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 (2 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-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 HSD17B10 3723/4885GRIN2D 3931/4885GRIN3B 2714/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 HSD17B10 3723/4885GRIN2D 3931/4885GRIN3B 2714/4885

“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.