SCHEMBL10189702

SCHEMBL10189702

COc1cc(-c2nn[nH]c2-c2ccc(N)cc2)cc(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.38
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
CHEK2 O96017 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 2/20 0.35
FYN P06241 2/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL10189699 0.88 ALDH1A1 (0.35) ALDH1A1KDM4ECCNB2CDK1CCNB1
SCHEMBL10189728 0.88 SMPD3 (0.41) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL10189723 0.88 FYN (0.39) ALDH1A1FYN
SCHEMBL10189703 0.87 SMPD3 (0.41) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL10189705 0.86 S1PR1 (0.38) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL10189708 0.86 S1PR1 (0.37) ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL410428 0.85 FYN (0.48) ALDH1A1KDM4EMEN1KMT2AFYN
SCHEMBL10189749 0.85 TEK (0.34) ALDH1A1CCNB2CDK1CCNB1GSK3A
SCHEMBL10189725 0.85 TP53 (0.34) ALDH1A1KDM4EKMT2AHSD17B10
SCHEMBL10189754 0.84 SMPD3 (0.34) ALDH1A1KDM4EHSD17B10CCNB2CDK1

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-9175022-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2015-11-03 US disclosed
US-8501790-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-08-06 US disclosed
US-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-01-26 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-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 CHEK1 395/4885ALDH1A1 1872/4885KDM4E 2492/4885

“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.