SCHEMBL21138864

SCHEMBL21138864

COc1ccc(Cn2nnc3c(Nc4cccc(C(F)(F)F)c4)ncnc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.55
AKR1C2 P52895 1/20 0.55
KDR P35968 1/20 0.52
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 3/20 0.48
TSHR P16473 3/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
EGFR P00533 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
HPGD P15428 1/20 0.47
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
APP P05067 1/20 0.46

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
SCHEMBL21057402 0.83 KDM4E (0.52) KDM4EALDH1A1TSHRHTTLMNA
SCHEMBL21057411 0.83 KDM4E (0.57) KDM4EALDH1A1TSHRHTTLMNA
SCHEMBL21057535 0.81 L3MBTL1 (0.52) KDM4ELMNAEGFRHPGDMAPT
SCHEMBL21057399 0.78 ADORA3 (0.52) KDM4EALDH1A1TSHRHTTLMNA
SCHEMBL9477531 0.77 NPSR1 (0.53) KDM4EALDH1A1TSHRHTTLMNA
SCHEMBL21057303 0.76 ALDH1A1 (0.51) KDM4EALDH1A1TSHRHTTLMNA
SCHEMBL9477005 0.74 ALDH1A1 (0.54) KDM4EALDH1A1TSHRHTTLMNA
SCHEMBL4928309 0.72 ALDH1A1 (0.52) KDM4EALDH1A1TSHRHTTLMNA
SCHEMBL9477387 0.71 HTT (0.51) KDM4EALDH1A1TSHRHTTLMNA
SCHEMBL21159608 0.71 KDR (0.51) KDRKDM4ETSHRHTTLMNA

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 2 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
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 AKR1C3 1754/4885AKR1C2 1695/4885KDR 4093/4885

“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.