SCHEMBL21513634

SCHEMBL21513634

COc1ccc2c(Cl)c(C(=O)c3ccc(F)cc3)sc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
PPARG P37231 1/20 0.64
HTT P42858 1/20 0.64
MAPK10 P53779 1/20 0.64
NCOA2 Q15596 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
RXFP1 Q9HBX9 1/20 0.64
ALDH1A1 P00352 4/20 0.60
MAPT P10636 4/20 0.60
KDM4E B2RXH2 2/20 0.60
GAA P10253 2/20 0.60
LMNA P02545 1/20 0.60
BCKDK O14874 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
DYRK1A Q13627 2/20 0.51
ESR1 P03372 3/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48

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
SCHEMBL31053341 0.92 BCKDK (0.60) PRNPTSHRMAPK1PPARGHTT
SCHEMBL18940219 0.92 PRNP (0.70) PRNPTSHRMAPK1PPARGHTT
SCHEMBL18940199 0.87 HTT (0.67) PRNPTSHRMAPK1PPARGHTT
SCHEMBL29768647 0.86 HTT (0.60) PRNPTSHRMAPK1PPARGHTT
SCHEMBL18940248 0.85 PRNP (0.58) PRNPTSHRMAPK1PPARGHTT
SCHEMBL29431544 0.85 PRNP (0.58) PRNPTSHRMAPK1PPARGHTT
SCHEMBL29670217 0.84 PRNP (0.60) PRNPTSHRMAPK1PPARGHTT
SCHEMBL18940192 0.84 PRNP (0.60) PRNPTSHRMAPK1PPARGHTT
SCHEMBL29670015 0.83 PRNP (0.58) PRNPTSHRMAPK1PPARGHTT
SCHEMBL18940245 0.83 PRNP (0.58) PRNPTSHRMAPK1PPARGHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11364222-B2 Combination therapy for treatment of cancer G1 THERAPEUTICS, INC. (US) 2022-06-21 US disclosed
US-20190321332-A1 COMBINATION THERAPY FOR TREATMENT OF CANCER G1 THERAPEUTICS, INC. (US) 2019-10-24 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 (2 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-11364222-B2 Combination therapy for treatment of cancer CDK4, CDK6, CCND1 PRNP 4873/4885TSHR 1263/4885MAPK1 1477/4885
US-20190321332-A1 COMBINATION THERAPY FOR TREATMENT OF CANCER CDK4, CDK6, CCND1 PRNP 4873/4885TSHR 1263/4885MAPK1 1477/4885

“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.