SCHEMBL19362355

SCHEMBL19362355

Cc1nc(C)c2c(n1)CC1CCCCC1C2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL19362221 0.96 KDM4E (0.33) KDM4EALDH1A1CYP1A2HPGD
SCHEMBL19362373 0.80 PDE10A (0.34) KDM4EALDH1A1CYP1A2HPGD
SCHEMBL19362368 0.80 — —
SCHEMBL19362417 0.80 PDE10A (0.34) KDM4EALDH1A1CYP1A2HPGD
SCHEMBL17517570 0.69 KDM4E (0.33) KDM4EALDH1A1CYP1A2HPGD
SCHEMBL13153128 0.69 KDM4E (0.63) KDM4EALDH1A1HPGD
SCHEMBL5440063 0.69 KDM4E (0.57) KDM4EALDH1A1CYP1A2HPGD
SCHEMBL19362352 0.68 HIF1A (0.36) —
SCHEMBL19362227 0.68 HIF1A (0.36) KDM4EALDH1A1
SCHEMBL18568567 0.67 KDM4E (0.61) KDM4EALDH1A1HPGD

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-20170267679-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF p97 COMPLEX CLEAVE BIOSCIENCES INC (US) 2017-09-21 — — 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-20170267679-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF p97 COMPLEX PSMG3, PSME1, PSMB3 KDM4E 3241/4885ALDH1A1 3234/4885CYP1A2 3254/4885

“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.

Send feedback