SCHEMBL537665

SCHEMBL537665

COc1ccc(CN2CCc3nn(C)c4nc(SC)nc2c34)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.40
SRC P12931 5/20 0.36
FLT3 P36888 3/20 0.36
FYN P06241 2/20 0.36
ABL1 P00519 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
PTGIR P43119 1/20 0.34
DHFR P00374 1/20 0.34
MAOB P27338 1/20 0.34
ADORA1 P30542 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 1/20 0.34
CFTR P13569 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL2809958 0.87 BRS3 (0.39) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL537635 0.86 SIGMAR1 (0.42) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL537843 0.81 GAA (0.41) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL2809514 0.81 HTR6 (0.46) ALDH1A1KDM4EGAAKMT2ACYP1A2
SCHEMBL2811678 0.81 CCNE2 (0.39) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL537857 0.80 GAA (0.42) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL2814487 0.80 BCDIN3D (0.40) MAPTALDH1A1LMNAGAAADORA1
SCHEMBL2809527 0.80 MAPT (0.45) MAPTALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL2812793 0.79 HRH1 (0.47) MAPTSIGMAR1KMT2A
SCHEMBL2814383 0.79 PDE1B (0.41) MAPTALDH1A1LMNAKDM4EGAA

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 9 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
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
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 MAPT 2947/4885ALDH1A1 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.