SCHEMBL13583262

SCHEMBL13583262

C1=NN(c2ncccn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.35
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.30
MEN1 O00255 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL28629659 0.80
SCHEMBL27701241 0.68 MAPT (0.41) KDM4ELMNAMAPTTP53POLB
SCHEMBL17171677 0.65 KDM4E (0.39) KDM4EALDH1A1LMNAMAPTUSP2
SCHEMBL10498542 0.64 LMNA (0.70) KDM4EALDH1A1LMNAMAPTUSP2
SCHEMBL6663539 0.64
SCHEMBL4072362 0.64 KDM4E (0.47) KDM4EALDH1A1LMNAMAPTUSP2
SCHEMBL981646 0.63 GAA (0.43) KDM4EALDH1A1LMNAMAPTTP53
SCHEMBL14100657 0.62 KDM4E (0.56) KDM4EALDH1A1LMNAMAPTUSP2
SCHEMBL1267349 0.62 KDM4E (0.56) KDM4EALDH1A1LMNAMAPTUSP2
Benzene SCHEMBL9846947 0.61 ALDH1A1 (0.33) KDM4EALDH1A1MAPTTP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2527341-B1 Process for preparation of pyrimidinylpyrazole compounds SHISEIDO CO LTD (JP) 2014-06-18 EP disclosed
US-8592582-B2 Method for producing pyrimidinylpyrazole compounds SHISEIDO COMPANY, LTD. (JP) 2013-11-26 US disclosed
US-20120283441-A1 Method For Producing Pyrimidinylpyrazole Compounds SHISEIDO COMPANY, LTD. (JP) 2012-11-08 US 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-20120283441-A1 Method For Producing Pyrimidinylpyrazole Compounds DCK, IFNG, QDPR KDM4E 1907/4885ALDH1A1 926/4885LMNA 4623/4885

“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.