SCHEMBL12834523

SCHEMBL12834523

c1ccc(-c2csc(-c3nc4ncccc4[nH]3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ ALDH1A1 P00352 2/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ TP53 P04637 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ MAPT P10636 1/20 0.67
▸ HPGD P15428 1/20 0.67
▸ ALOX15 P16050 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ BRCA1 P38398 1/20 0.67
▸ HSD17B10 Q99714 1/20 0.67
▸ TDP1 Q9NUW8 1/20 0.67
▸ METAP1 P53582 2/20 0.59
▸ AURKA O14965 6/20 0.57
▸ METAP2 P50579 1/20 0.55
▸ AR P10275 1/20 0.54
▸ RAB9A P51151 2/20 0.50
▸ CYP19A1 P11511 3/20 0.49
▸ PDE5A O76074 2/20 0.48

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
SCHEMBL1677344 0.81 CYP19A1 (0.59) KDM4EKMT2AALDH1A1MEN1TP53
SCHEMBL7965438 0.80 KDM4E (1.00) KDM4EKMT2AALDH1A1MEN1TP53
SCHEMBL1284270 0.79 AURKA (0.73) METAP1AURKAMETAP2RAB9APDE5A
SCHEMBL8343381 0.78 KDM4E (0.94) KDM4EKMT2AALDH1A1MEN1TP53
Hydrochloric Acid SCHEMBL11776694 0.78 AURKA (0.71) METAP1AURKAMETAP2RAB9APDE5A
SCHEMBL11155883 0.75 AURKA (0.67) KDM4EALDH1A1METAP1AURKAMETAP2
SCHEMBL14115847 0.74 PDE5A (0.68) METAP1AURKAMETAP2PDE5A
SCHEMBL1170747 0.74 METAP1 (0.72) METAP1AURKAMETAP2PDE5APRMT5
SCHEMBL28865125 0.72 METAP1 (0.58) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL32665694 0.72 KDM4E (0.69) KDM4EKMT2AALDH1A1MEN1TP53

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 2432/4885KMT2A 1726/4885ALDH1A1 2293/4885

“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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