SCHEMBL14091524

SCHEMBL14091524

Fc1ccc(-c2csc(-c3nc4cccnc4[nH]3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.55
▸ AR P10275 1/20 0.55
▸ CYP19A1 P11511 5/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ MAPK1 P28482 3/20 0.52
▸ TP53 P04637 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ BRCA1 P38398 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ TOP1 P11387 3/20 0.44
▸ SREBF2 Q12772 1/20 0.44
▸ ALOX5 P09917 1/20 0.42

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
SCHEMBL14091269 0.77 KDM4E (0.51) KDM4EARCYP19A1MEN1KMT2A
SCHEMBL17014749 0.72 KDM4E (1.00) KDM4EARCYP19A1MEN1KMT2A
SCHEMBL15633796 0.71 NPC1 (0.46) KDM4EMEN1KMT2AALDH1A1TP53
SCHEMBL8343381 0.69 KDM4E (0.94) KDM4EARMEN1KMT2AALDH1A1
SCHEMBL12834080 0.69 KDM4E (0.48) KDM4EARCYP19A1MEN1KMT2A
SCHEMBL3237120 0.69 TRPV1 (0.56) TOP1KITMAPK13MAPK12MAPK11
SCHEMBL7965438 0.69 KDM4E (1.00) KDM4EARMEN1KMT2AALDH1A1
SCHEMBL28491325 0.69 KDM4E (0.75) KDM4EARCYP19A1MEN1KMT2A
SCHEMBL14531231 0.69 KDM4E (0.75) KDM4EARCYP19A1MEN1KMT2A
Methane SCHEMBL9692076 0.68 KDM4E (0.53) KDM4ECYP19A1MEN1KMT2AALDH1A1

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
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 KDM4E 2432/4885AR 2930/4885CYP19A1 1587/4885

“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.

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