SCHEMBL10181023

SCHEMBL10181023

COc1cc(OC)nc(C(=O)c2nc(OC)cc(OC)n2)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.40
CTSA P10619 1/20 0.39

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
SCHEMBL3405403 0.84 KDM4E (0.55) CYP1A2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL5092353 0.84 CYP1A2 (0.57) CYP1A2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL984078 0.82 CYP1A2 (0.50) CYP1A2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL577637 0.82 POLB (0.53) CYP1A2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL8404026 0.82 ALDH1A1 (0.64) CYP1A2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL12883191 0.79 CYP1A2 (0.47) CYP1A2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL30501799 0.79 ALDH1A1 (0.50) CYP1A2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL8069600 0.77 NPC1 (0.46) CYP1A2ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL1720041 0.77 ALDH1A1 (0.49) CYP1A2ALDH1A1KDM4ESMN1; SMN2CTSA
SCHEMBL21884142 0.77 CYP1A2 (0.50) CYP1A2ALDH1A1KDM4ELMNASMN1; SMN2

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-2474536-B1 PROCESS FOR PREPARATION OF PYRIMIDINYLACETONITRILE DERIVATIVES AND INTERMEDIATES FOR SYNTHESIS THEREOF IHARA CHEMICAL IND CO (JP) 2014-06-25 EP disclosed
EP-2674420-A1 METHOD FOR PRODUCING AMINOPHENYL PYRIMIDINYL ALCOHOL DERIVATIVE, AND SYNTHESIS INTERMEDIATE THEREOF Ihara Chemical Industry Co., Ltd. (JP) 2013-12-18 EP disclosed
US-20120178931-A1 PROCESS FOR PREPARATION OF PYRIMIDINYLACETONITRILE DERIVATIVES AND INTERMEDIATES FOR SYNTHESIS THEREOF IHARA CHEMICAL INDUSTRY CO., LTD (JP) 2012-07-12 US disclosed
EP-2474536-A1 PROCESS FOR PREPARATION OF PYRIMIDINYLACETONITRILE DERIVATIVES AND INTERMEDIATES FOR SYNTHESIS THEREOF Ihara Chemical Industry Co., Ltd. (JP) 2012-07-11 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-20120178931-A1 PROCESS FOR PREPARATION OF PYRIMIDINYLACETONITRILE DERIVATIVES AND INTERMEDIATES FOR SYNTHESIS THEREOF DPYD, UMPS, PNP CYP1A2 58/4885ALDH1A1 238/4885KDM4E 809/4885

“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.