SCHEMBL2998093

SCHEMBL2998093

COC=Cc1ccnn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
GAA P10253 1/20 0.39
PDE10A Q9Y233 3/20 0.37
CYP2C9 P11712 5/20 0.37
CYP2C19 P33261 4/20 0.37
CYP2C18 P33260 3/20 0.37
CYP2C8 P10632 2/20 0.36
MPO P05164 1/20 0.35
MDM2 Q00987 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPBWR1 P48145 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
APP P05067 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL2998092 1.00 POLB (0.44) POLBGAAPDE10ACYP2C9CYP2C19
SCHEMBL20283100 0.77 POLB (0.48) POLBGAACYP2C9ALDH1A1SMN1; SMN2
SCHEMBL27316109 0.77 ALDH1A1 (0.44) POLBGAACYP2C9ALDH1A1SMN1; SMN2
SCHEMBL3005643 0.73 KMT2A (0.34) CYP2C9CYP2C19SMN1; SMN2CYP1A2CYP3A4
SCHEMBL3005642 0.73 KMT2A (0.34) CYP2C9CYP2C19SMN1; SMN2CYP1A2CYP3A4
SCHEMBL1779238 0.73 POLB (0.52) POLBGAACYP2C9CYP2C19CYP2C18
SCHEMBL6057416 0.71 POLB (0.53) POLBGAAPDE10ACYP2C9CYP2C19
SCHEMBL1777962 0.68 HTT (0.57) POLBGAAALDH1A1SMN1; SMN2CYP3A4
SCHEMBL1777959 0.68 HTT (0.57) POLBGAAALDH1A1SMN1; SMN2CYP3A4
SCHEMBL18394893 0.67 TP53 (0.50) POLBGAACYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144915-B1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES ESTEVE LABOR DR (ES) 2014-03-19 EP disclosed
US-20100197714-A1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES LABORATORIOS DEL. DR. ESTEVE, S.A. (ES) 2010-08-05 US disclosed
US-20100197714-A1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES LABORATORIOS DEL. DR. ESTEVE, S.A. (ES) 2010-08-05 US disclosed
EP-1982987-A1 Spiro-pyrano-pyrazole derivatives Laboratorios del Dr. Esteve S.A. (ES) 2008-10-22 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-20100197714-A1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES SIGMAR1, TMEM97, OPRD1 POLB 1743/4885GAA 3340/4885PDE10A 1336/4885

“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.