SCHEMBL21500993

SCHEMBL21500993

Cn1ncc(N)c1-c1cc(Cl)ccc1OC(F)F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.43
HTR2C P28335 11/20 0.43
JAK2 O60674 6/20 0.38
JAK1 P23458 6/20 0.38
TYK2 P29597 4/20 0.38
JAK3 P52333 4/20 0.38
LRRK2 Q5S007 1/20 0.38
SCN9A Q15858 1/20 0.38
BACE1 P56817 1/20 0.37
F11 P03951 1/20 0.36

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
SCHEMBL942635 0.84 HTR2A (0.54) HTR2AHTR2C
SCHEMBL15428695 0.78 HTR2B (0.44) HTR2AHTR2CJAK2JAK1
SCHEMBL17271442 0.77 F11 (0.34) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL403864 0.76 CYP3A4 (0.46) HTR2AHTR2CJAK2JAK1TYK2
SCHEMBL22815040 0.76 F11 (0.34) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL17363397 0.72 RECQL (0.42) HTR2AHTR2CJAK2JAK1
SCHEMBL17271565 0.71 JAK2 (0.51) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL12505439 0.70 MAPT (0.52)
SCHEMBL29958589 0.70 MAPT (0.52)
SCHEMBL17271432 0.69 JAK2 (0.36) JAK2JAK1TYK2JAK3LRRK2

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-20190322661-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, 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 (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-20190322661-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 HTR2A 3604/4885HTR2C 2450/4885JAK2 2/4885

“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.