SCHEMBL9902864

SCHEMBL9902864

CCOC(=O)C(C#N)c1nc(OC)cc(OC)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 3/20 0.43
POLB P06746 2/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.40
CTSK P43235 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.36
PKM P14618 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
RECQL P46063 1/20 0.36
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
MMP13 P45452 1/20 0.35

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
Water SCHEMBL9905571 0.86 CYP1A2 (0.44) SMN1; SMN2KMT2AMEN1POLBALDH1A1
SCHEMBL22995212 0.86 KMT2A (0.55) SMN1; SMN2KMT2AMEN1GAAHTT
SCHEMBL22995437 0.83 HTT (0.56) SMN1; SMN2KMT2AMEN1GAAHTT
SCHEMBL9902726 0.81 CYP1A2 (0.36) SMN1; SMN2KMT2AALDH1A1KDM4ELMNA
SCHEMBL22995517 0.78 KMT2A (0.49) SMN1; SMN2KMT2AMEN1GAAHTT
SCHEMBL11395624 0.78 KMT2A (0.49) SMN1; SMN2KMT2AMEN1GAAHTT
SCHEMBL22995234 0.78 KMT2A (0.47) SMN1; SMN2KMT2AMEN1GAAHTT
SCHEMBL8975749 0.77 ALDH1A1 (0.42) SMN1; SMN2HTTPOLBALDH1A1KDM4E
SCHEMBL22995220 0.77 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AMEN1GAAHTT
SCHEMBL8873130 0.76 ALDH1A1 (0.41) SMN1; SMN2HTTPOLBALDH1A1KDM4E

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-2463277-B1 METHOD FOR PRODUCING 4,6-DIALKOXY-2-CYANOMETHYLPYRIMIDINE AND SYNTHETIC INTERMEDIATE THEREOF KUMIAI CHEMICAL INDUSTRY CO (JP) 2017-11-08 EP disclosed
US-8748605-B2 Method for producing 4,6-dialkoxy-2-cyanomethylpyrimidine and synthetic intermediate thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2014-06-10 US disclosed
US-20120190851-A1 METHOD FOR PRODUCING 4,6-DIALKOXY-2-CYANOMETHYLPYRIMIDINE AND SYNTHETIC INTERMEDIATE THEREOF IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2012-07-26 US disclosed
EP-2463277-A1 METHOD FOR PRODUCING 4,6-DIALKOXY-2-CYANOMETHYLPYRIMIDINE AND SYNTHETIC INTERMEDIATE THEREOF Ihara Chemical Industry Co., Ltd. (JP) 2012-06-13 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-20120190851-A1 METHOD FOR PRODUCING 4,6-DIALKOXY-2-CYANOMETHYLPYRIMIDINE AND SYNTHETIC INTERMEDIATE THEREOF DPYD, TYMP, DTYMK SMN1; SMN2 2788/4885KMT2A 2114/4885MEN1 3639/4885

“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.