SCHEMBL21057281

SCHEMBL21057281

FC(F)(F)c1nn(C2CCCCC2)c2ncnc(Cl)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.43
PIK3CD O00329 11/20 0.43
PIK3CA P42336 11/20 0.43
PIK3CB P42338 11/20 0.43
PIK3CG P48736 11/20 0.43
PRKDC P78527 11/20 0.43
ABL1 P00519 10/20 0.43
EGFR P00533 10/20 0.43
HCK P08631 10/20 0.43
SRC P12931 10/20 0.43
MTOR P42345 10/20 0.43
EPHB4 P54760 10/20 0.43
PI4KB Q9UBF8 6/20 0.43
RET P07949 5/20 0.41
NR3C1 P04150 2/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL21138767 0.84 KDR (0.53) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21057449 0.79 KDM4E (0.52) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21159325 0.74 ABL1 (0.41) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19917153 0.74 ADAMTS5 (0.37) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL18642029 0.71 JAK2 (0.46) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4923676 0.70 SRC (0.44) KDRABL1EGFRHCKSRC
SCHEMBL14617751 0.67 PIK3CD (0.45) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17264223 0.67 RET (0.46) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL11622927 0.67 ADORA2A (0.40) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2077023 0.67 ABL1 (0.49) ABL1EGFRBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 US disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A KDR 4093/4885PIK3CD 642/4885PIK3CA 1045/4885

“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.