SCHEMBL2809958

SCHEMBL2809958

CSc1nc2c3c(nn(C)c3n1)CCN2Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.39
ALDH1A1 P00352 6/20 0.38
FYN P06241 4/20 0.38
KDM4E B2RXH2 4/20 0.38
SRC P12931 9/20 0.37
TSHR P16473 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
FLT3 P36888 4/20 0.36
ABL1 P00519 3/20 0.36
MAPT P10636 4/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
PTBP1 P26599 1/20 0.34
HTT P42858 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
SCHEMBL537987 0.88 FYN (0.40) ALDH1A1FYNKDM4ESRCTSHR
SCHEMBL2812603 0.83 KMT2A (0.42) ALDH1A1FYNKDM4ESRCKMT2A
SCHEMBL537635 0.81 SIGMAR1 (0.42) ALDH1A1KDM4ESRCTSHRNPSR1
SCHEMBL14405863 0.81 ALDH1A1 (0.39) ALDH1A1FYNKDM4ESRCTSHR
SCHEMBL13131651 0.80 SMN1; SMN2 (0.41) ALDH1A1FYNKDM4ESRCTSHR
SCHEMBL537883 0.78 SMN1; SMN2 (0.39) BRS3ALDH1A1FYNKDM4ESRC
SCHEMBL2812793 0.74 HRH1 (0.47) NPSR1MAPTKMT2AMEN1
SCHEMBL2814033 0.72 DDB1 (0.39) ALDH1A1KDM4ENPSR1MAPTLMNA
SCHEMBL537722 0.72 CLPP (0.41) ALDH1A1KDM4ESRCTSHRNPSR1
SCHEMBL13145753 0.70 PDE2A (0.41) ALDH1A1KDM4ETSHRLMNAGLA

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
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US 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 BRS3 3282/4885ALDH1A1 924/4885FYN 542/4885

“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.