SCHEMBL1794302

SCHEMBL1794302

Cc1ccc(Cl)cc1N1CCN(c2ncnc3[nH]nc(C=C4C[C@H]5CNC(Cc6ccccc6)[C@H]5C4)c23)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 8/20 0.46
MAPT P10636 6/20 0.40
LMNA P02545 5/20 0.40
TP53 P04637 3/20 0.40
HTT P42858 2/20 0.37
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ADRB2 P07550 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GPR35 Q9HC97 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
SCHEMBL1789876 0.84 RPS6KB1 (0.56) RPS6KB1MAPTLMNATP53ALDH1A1
SCHEMBL1789872 0.84 RPS6KB1 (0.56) RPS6KB1MAPTLMNATP53ALDH1A1
SCHEMBL4934183 0.79 RPS6KB1 (0.51) RPS6KB1MAPTLMNATP53ALDH1A1
SCHEMBL4934175 0.79 RPS6KB1 (0.51) RPS6KB1MAPTLMNATP53ALDH1A1
Trifluoroacetic Acid SCHEMBL4932731 0.79 RPS6KB1 (0.51) RPS6KB1MAPTLMNATP53SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4932722 0.79 RPS6KB1 (0.51) RPS6KB1MAPTLMNATP53SMN1; SMN2
SCHEMBL1793442 0.78 RPS6KB1 (0.59) RPS6KB1MAPTLMNATP53ALDH1A1
Trifluoroacetic Acid SCHEMBL4930335 0.75 RPS6KB1 (0.49) RPS6KB1MAPTLMNATP53SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4930339 0.75 RPS6KB1 (0.49) RPS6KB1MAPTLMNATP53SMN1; SMN2
SCHEMBL1792919 0.75 RPS6KB1 (0.59) RPS6KB1MAPTLMNATP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC (US) 2011-05-26 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-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K RPS6KB1 329/4885MAPT 4242/4885LMNA 1060/4885

“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.