SCHEMBL2813757

SCHEMBL2813757

COc1ccc(CCN(C)c2nc3c4c(n2)N(Cc2ccccc2)CCC4NN3)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM1A O60341 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
NSD2 O96028 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCB1 P08183 1/20 0.37
SMPD1 P17405 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL2809646 0.89 CETP (0.41)
SCHEMBL2813852 0.82 NAPEPLD (0.36) KDM1AEHMT2RCOR1
SCHEMBL2816684 0.81 ACHE (0.47) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2813943 0.75 ACHE (0.36) L3MBTL1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL2809448 0.75 ACHE (0.47) MEN1KMT2A
SCHEMBL2813749 0.74 KDM4E (0.41) KDM4EL3MBTL1KDM1AEHMT2RCOR1
SCHEMBL2808574 0.73 SLC29A1 (0.35) KDM4EL3MBTL1NSD2MEN1ALDH1A1
SCHEMBL2813892 0.73 ADAMTS4 (0.45) EHMT2NSD2MEN1ALDH1A1KMT2A
SCHEMBL2813048 0.72 IP6K1 (0.40) KDM1AEHMT2RCOR1MEN1KMT2A
SCHEMBL2811115 0.72 MAPT (0.40) KDM1AEHMT2RCOR1CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 KDM4E 2749/4885L3MBTL1 4501/4885KDM1A 3360/4885

“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.