SCHEMBL2812978

SCHEMBL2812978

CCC(C)Nc1nc2c3c(n[nH]c3n1)CCN2Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
BRS3 P32247 9/20 0.36
MAPK1 P28482 2/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
ALDH1A1 P00352 2/20 0.34
STAT6 P42226 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2808279 0.91 BRS3 (0.41) BRS3MAPK1ALDH1A1STAT6DDB1
SCHEMBL2814450 0.89 BRS3 (0.34) HTTBRS3MAPK1ALDH1A1STAT6
SCHEMBL2813708 0.89 BRS3 (0.34) HTTBRS3MAPK1ALDH1A1STAT6
SCHEMBL2811941 0.84 CLPP (0.41) HTTBRS3ALDH1A1STAT6DDB1
SCHEMBL2812993 0.83 CDK2 (0.39) BRS3MAPK1CDK2ALDH1A1STAT6
SCHEMBL537893 0.82 ALDH1A1 (0.40) HTTBRS3MAPK1ALDH1A1KDM4E
SCHEMBL2812298 0.79 CLPP (0.38) HTTALDH1A1STAT6KDM4ELMNA
SCHEMBL2809575 0.78 BRS3 (0.40) BRS3MAPK1STAT6
SCHEMBL537583 0.78 CLPP (0.49) ALDH1A1KDM4EMAPTKMT2A
SCHEMBL2813731 0.78 CTSS (0.40) HTTBRS3MAPK1ALDH1A1STAT6

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 PKM 383/4885HTT 2797/4885BRS3 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.