SCHEMBL1781432

SCHEMBL1781432

Cc1c(NN)cc(F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.37
RAPGEF4 Q8WZA2 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL998478 0.78 CA1 (0.36) CA1CA2CA9
Hydrochloric Acid SCHEMBL3844781 0.76 CA1 (0.35) CA1CA2CA9
Bromide SCHEMBL20984788 0.76 CA1 (0.35) CA1CA2CA9
SCHEMBL4129959 0.74 KIF11 (0.41) CA1CA2CA9
SCHEMBL1785242 0.72 HSD17B10 (0.32) CA1CA2CA9
SCHEMBL8042966 0.71 CA1 (0.35) RAPGEF4CA1CA2CA9
SCHEMBL11568441 0.70 ALDH3A1 (0.31) RAPGEF4
SCHEMBL172019 0.69 CA1 (0.35) RAPGEF4CA1CA2
SCHEMBL4895474 0.69 ALDH1A1 (0.33) RAPGEF4CA1CA2
Phosphoric Acid SCHEMBL20984795 0.68 CA1 (0.34) CA1CA2CA9

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-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 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-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R DHFR 24/4885RAPGEF4 4203/4885CA1 4000/4885

“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.