SCHEMBL21057449

SCHEMBL21057449

Cc1nn(C2CCCCC2)c2ncnc(Cl)c12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NR3C1 P04150 7/20 0.47
KDR P35968 10/20 0.46
PIK3CD O00329 9/20 0.46
ABL1 P00519 9/20 0.46
EGFR P00533 9/20 0.46
HCK P08631 9/20 0.46
SRC P12931 9/20 0.46
PIK3CA P42336 9/20 0.46
PIK3CB P42338 9/20 0.46
MTOR P42345 9/20 0.46
PIK3CG P48736 9/20 0.46
EPHB4 P54760 9/20 0.46
PRKDC P78527 9/20 0.46
PI4KB Q9UBF8 6/20 0.46
RET P07949 3/20 0.43

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
SCHEMBL19871051 0.84 RET (0.56) KDM4EALDH1A1HSD17B10KDRPIK3CD
SCHEMBL21540336 0.82 PIK3CD (0.56) KDRPIK3CDABL1EGFRHCK
SCHEMBL17966359 0.80 CYP2C19 (0.43) ALDH1A1HSD17B10NR3C1EGFRPI4KB
SCHEMBL21057281 0.79 KDR (0.43) NR3C1KDRPIK3CDABL1EGFR
SCHEMBL31194551 0.78 ALDH1A1 (0.57) KDM4EALDH1A1HSD17B10NR3C1
SCHEMBL31194579 0.76 KDM4E (0.55) KDM4EALDH1A1HSD17B10NR3C1KDR
SCHEMBL24096479 0.75 SRC (0.61) KDRPIK3CDABL1EGFRHCK
SCHEMBL1128411 0.75 NR3C1 (0.49) NR3C1
SCHEMBL27834955 0.75 NR3C1 (0.38) NR3C1
SCHEMBL14617751 0.75 PIK3CD (0.45) KDRPIK3CDABL1EGFRHCK

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 KDM4E 1221/4885ALDH1A1 1644/4885HSD17B10 883/4885

“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.