SCHEMBL537755

SCHEMBL537755

COc1ccc(CN2CCCc3n[nH]c4nc(SC)nc2c34)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.38
BRS3 P32247 1/20 0.37
TYMS P04818 4/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ACP1 P24666 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
PDE1B Q01064 1/20 0.35
PTGIR P43119 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SRC P12931 3/20 0.34
FYN P06241 2/20 0.34
FLT3 P36888 2/20 0.34
ABL1 P00519 1/20 0.34

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
SCHEMBL537857 0.94 GAA (0.42) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL2809850 0.84 BRS3 (0.42) GAABRS3TYMSCYP3A4CYP2C9
SCHEMBL2810300 0.83 BRS3 (0.44) GAABRS3TYMSCYP3A4CYP2C9
SCHEMBL13131766 0.82 TYMS (0.41) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL2812821 0.82 SMN1; SMN2 (0.42) KDM4EALDH1A1LMNAMAPTCYP3A4
SCHEMBL2812343 0.82 CLPP (0.45) KDM4EALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL537883 0.81 SMN1; SMN2 (0.39) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL537803 0.81 MEN1 (0.43) KDM4EALDH1A1MAPTGAABRS3
SCHEMBL2808435 0.79 SIGMAR1 (0.48) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL2816437 0.79 ACHE (0.40) TYMS

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 7 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
EP-2414359-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-02-08 EP disclosed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO disclosed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO 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 2749/4885ALDH1A1 924/4885LMNA 2815/4885

“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.