SCHEMBL12834080

SCHEMBL12834080

Fc1ccc(-c2csc(-c3nc4cc5c[nH]nc5cc4[nH]3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ BRCA1 P38398 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ AR P10275 1/20 0.47
▸ PPM1D O15297 1/20 0.42
▸ CYP1B1 Q16678 2/20 0.41
▸ KIT P10721 2/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ GUSB P08236 1/20 0.39
▸ RAB9A P51151 3/20 0.39

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
SCHEMBL12833542 0.88 KDM4E (0.63) KDM4EALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL14091523 0.73 NR4A2 (0.53) KDM4EALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL32665694 0.71 KDM4E (0.69) KDM4EALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL14091269 0.71 KDM4E (0.51) KDM4EALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL14091268 0.70 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL14091524 0.69 KDM4E (0.55) KDM4EALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL12833976 0.69 ALOX5 (0.40) KDM4EALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL14091267 0.67 ATR (0.56) ALDH1A1HPGDMEN1KMT2ARAB9A
SCHEMBL8343385 0.67 KDM4E (0.80) KDM4EALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL8343142 0.67 KDM4E (0.80) KDM4EALDH1A1CYP3A4HPGDHSD17B10

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 6 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
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 — — EP 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
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 — — WO 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 2432/4885ALDH1A1 2293/4885CYP3A4 2763/4885

“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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