SCHEMBL15077341

SCHEMBL15077341

COc1n[nH]c2cc(-c3nnc(Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4ccccc34)ccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
CA9 Q16790 2/20 0.43
LMNA P02545 2/20 0.42
GRM4 Q14833 1/20 0.41
KDR P35968 4/20 0.41
TP53 P04637 1/20 0.41
ENPP3 O14638 2/20 0.40
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MAP2K4 P45985 1/20 0.38

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
SCHEMBL794078 0.87 MAPT (0.50) MAPTCA9LMNAGRM4KDR
SCHEMBL788182 0.86 KDR (0.48) MAPTCA9LMNAGRM4KDR
SCHEMBL793720 0.85 MAPT (0.52) MAPTCA9LMNAGRM4KDR
SCHEMBL793766 0.83 MAPT (0.47) MAPTCA9LMNAGRM4KDR
SCHEMBL793582 0.83 MAPT (0.46) MAPTCA9LMNAGRM4KDR
SCHEMBL793951 0.81 MAPT (0.49) MAPTCA9LMNAKDRTP53
SCHEMBL793603 0.79 MAPT (0.47) MAPTCA9LMNAGRM4KDR
SCHEMBL794154 0.78 MAPT (0.47) MAPTCA9LMNAGRM4KDR
SCHEMBL793250 0.76 MAPT (0.49) MAPTCA9LMNAKDRENPP3
SCHEMBL793756 0.76 CA9 (0.50) MAPTCA9LMNAKDR

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-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 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-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 MAPT 2899/4885CA9 4203/4885LMNA 4206/4885

“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.