SCHEMBL14091238

SCHEMBL14091238

O=C(c1ccc2nc(-c3nc(-c4ccccc4)cs3)[nH]c2c1)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ HPGD P15428 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ BRCA1 P38398 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ ATR Q13535 2/20 0.51
▸ JAK2 O60674 2/20 0.51
▸ MGLL Q99685 1/20 0.50
▸ FGFR1 P11362 1/20 0.49
▸ FGFR2 P21802 1/20 0.49
▸ FGFR3 P22607 1/20 0.49
▸ KDR P35968 1/20 0.49

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
SCHEMBL14091267 0.91 ATR (0.56) ALDH1A1HPGDMEN1KMT2AATR
SCHEMBL14091406 0.85 ALDH1A1 (0.50) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL12833993 0.81 MEN1 (0.66) ALDH1A1HPGDMEN1KMT2AATR
SCHEMBL14091505 0.78 KDM4E (0.60) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL14090245 0.78 MEN1 (0.53) HPGDMEN1KMT2AATRJAK2
SCHEMBL14091390 0.77 NR4A2 (0.45) ATRMGLLFGFR1FGFR2FGFR3
SCHEMBL14091260 0.75 PIK3CD (0.52) HPGDATRJAK2MGLLFGFR1
SCHEMBL22955640 0.75 MEN1 (0.59) HPGDMEN1KMT2AKDM4EATR
SCHEMBL21843704 0.75 HPGD (0.70) HPGDMGLLACACBACACACHEK2
SCHEMBL14091250 0.75 SIRT2 (0.55) MEN1KMT2AATRMGLLFGFR1

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 5 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
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 ALDH1A1 2293/4885HPGD 496/4885MEN1 1879/4885

“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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