SCHEMBL537883

SCHEMBL537883

CSc1nc2c3c(n[nH]c3n1)CCN2Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BRS3 P32247 6/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
ADORA2A P29274 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.34
ABL1 P00519 1/20 0.34
FYN P06241 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 0.87 GAA (0.42) SMN1; SMN2BRS3KDM4EALDH1A1MAPT
SCHEMBL2811941 0.81 CLPP (0.41) SMN1; SMN2BRS3KDM4EALDH1A1MAPT
SCHEMBL537755 0.81 KDM4E (0.39) SMN1; SMN2BRS3KDM4EALDH1A1MAPT
SCHEMBL538300 0.80 KDM4E (0.43) SMN1; SMN2HSD17B10KDM4EALDH1A1MAPT
SCHEMBL538442 0.80 TLR7 (0.38) BRS3KDM4EALDH1A1MAPTDDB1
SCHEMBL2808279 0.80 BRS3 (0.41) SMN1; SMN2BRS3KDM4EALDH1A1MAPT
SCHEMBL2809499 0.79 HTR6 (0.46) BRS3KDM4EALDH1A1GAA
SCHEMBL2812038 0.79 BRS3 (0.44) HSD17B10BRS3GAAGLAHPGD
SCHEMBL537893 0.78 ALDH1A1 (0.40) SMN1; SMN2HSD17B10BRS3KDM4EALDH1A1
SCHEMBL2809958 0.78 BRS3 (0.39) SMN1; SMN2BRS3KDM4EALDH1A1MAPT

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 SMN1; SMN2 2524/4885HSD17B10 3435/4885BRS3 3282/4885

“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.