SCHEMBL3005643

SCHEMBL3005643

COC=Cc1ccnn1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
COMT P21964 1/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL3005642 1.00 KMT2A (0.34) KMT2ASMN1; SMN2COMTMAPTCYP1A2
SCHEMBL14048787 0.77
SCHEMBL2998093 0.73 POLB (0.44) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2998092 0.73 POLB (0.44) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL24792709 0.72 KMT2A (0.34) KMT2ASMN1; SMN2COMTMAPT
SCHEMBL18949206 0.72 KMT2A (0.34) KMT2ASMN1; SMN2COMT
SCHEMBL23457288 0.72
SCHEMBL16333669 0.71 KMT2A (0.42) KMT2ASMN1; SMN2COMT
SCHEMBL16333670 0.71 KMT2A (0.42) KMT2ASMN1; SMN2COMT
SCHEMBL332480 0.70

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 KMT2A 4514/4885SMN1; SMN2 4110/4885COMT 749/4885

“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.