SCHEMBL7879112

SCHEMBL7879112

CC1(NCc2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)COC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.41
CCNA2 P20248 9/20 0.41
CDK2 P24941 9/20 0.41
CCNA1 P78396 9/20 0.41
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
NPC1 O15118 4/20 0.35
CASP3 P42574 2/20 0.35
SENP8 Q96LD8 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP6 Q9GZR1 2/20 0.35
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 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
SCHEMBL7879298 0.90 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1MEN1
SCHEMBL10235330 0.90 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1MEN1
SCHEMBL7883682 0.82 CHEK1 (0.41) CHEK1CCNA2CDK2CCNA1MEN1
SCHEMBL10235175 0.82 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1NPC1
SCHEMBL7874844 0.82 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1MEN1
SCHEMBL7880988 0.81 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1MEN1
SCHEMBL6893658 0.81 JAK1 (0.42) CHEK1CCNA2CDK2CCNA1HSP90AA1
SCHEMBL7883158 0.80 CHEK1 (0.38) CHEK1CCNA2CDK2CCNA1SMN1; SMN2
SCHEMBL7879289 0.80 CHEK1 (0.39) CHEK1CCNA2CDK2CCNA1MEN1
SCHEMBL10235313 0.79 CHEK1 (0.41) CHEK1CCNA2CDK2CCNA1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO 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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR CHEK1 461/4885CCNA2 2476/4885CDK2 165/4885

“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.