SCHEMBL2813749

SCHEMBL2813749

COc1ccc(CCN(C)c2nc3c4c(n[nH]c4n2)CCN3Cc2ccccc2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMPD1 P17405 2/20 0.40
EBP Q15125 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
TMEM97 Q5BJF2 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C9 P11712 2/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM1A O60341 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
PARP1 P09874 1/20 0.37
MAPT P10636 1/20 0.37
HCN4 Q9Y3Q4 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
SCHEMBL13145428 0.92 L3MBTL1 (0.35) KDM4EL3MBTL1SMPD1KMT2AKDM1A
SCHEMBL2809643 0.89 CETP (0.42)
SCHEMBL13131459 0.83 CFTR (0.36) KDM4EKMT2AKDM1AEHMT2RCOR1
SCHEMBL2816678 0.83 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9KMT2A
SCHEMBL2813848 0.82 CTNNB1 (0.35)
SCHEMBL2809435 0.76 ACHE (0.45) KDM4ESIGMAR1SMN1; SMN2MAPT
SCHEMBL2813937 0.75 PIK3CB (0.35) KDM4EL3MBTL1EBPSIGMAR1CYP1A2
SCHEMBL2813887 0.73 ADAMTS4 (0.52) KMT2AMAPT
SCHEMBL2813041 0.72 HTR1A (0.40) SIGMAR1KMT2AKDM1ARCOR1HTR2A
SCHEMBL537583 0.72 CLPP (0.49) KDM4EL3MBTL1SIGMAR1KMT2ASMN1; 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 6 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-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
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
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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 4501/4885SMPD1 1847/4885

“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.