SCHEMBL10189755

SCHEMBL10189755

COc1cc(-c2nn[nH]c2-c2ccc(-c3nnnn3C)cc2)cc(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
LRRK2 Q5S007 2/20 0.37
ACLY P53396 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
TACR1 P25103 1/20 0.34
TTK P33981 2/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE4B Q07343 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
SCHEMBL412756 0.89 ALDH1A1 (0.40) ALDH1A1CYP2C9CYP2C19KMT2ALRRK2
SCHEMBL10189728 0.85 SMPD3 (0.41) ALDH1A1KMT2AKDM4ELMNAHSD17B10
SCHEMBL10189703 0.83 SMPD3 (0.41) ALDH1A1KMT2AKDM4ELMNAHSD17B10
SCHEMBL10189699 0.82 ALDH1A1 (0.35) ALDH1A1KDM4EPDE4B
SCHEMBL10189702 0.81 CHEK1 (0.38) ALDH1A1KMT2ASMN1; SMN2TDP1KDM4E
SCHEMBL410895 0.81 ALDH1A1 (0.46) ALDH1A1CYP2C9CYP2C19KMT2ALRRK2
SCHEMBL10189754 0.81 SMPD3 (0.34) ALDH1A1KDM4EHSD17B10
SCHEMBL10189705 0.80 S1PR1 (0.38) SMN1; SMN2
SCHEMBL10189708 0.80 S1PR1 (0.37) ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL10189723 0.79 FYN (0.39) ALDH1A1

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 ALDH1A1 1872/4885CYP2C9 4488/4885CYP2C19 4267/4885

“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.