SCHEMBL14091239

SCHEMBL14091239

CN1CCN(c2ccc3nc(-c4nc(-c5ccccc5)cs4)[nH]c3c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.59
▸ KDM4E B2RXH2 3/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ MAPT P10636 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ HPGD P15428 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ TP53 P04637 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ BRCA1 P38398 1/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ TOP1 P11387 3/20 0.55
▸ TOP2A P11388 3/20 0.55
▸ FGFR1 P11362 3/20 0.55

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
SCHEMBL14091268 0.90 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL14399402 0.81 ALDH1A1 (0.80) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL14656343 0.80 ALDH1A1 (0.80) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL8769012 0.78 ALDH1A1 (0.72) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL12834057 0.78 FGFR1 (0.71) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL14091276 0.76 ALDH1A1 (0.61) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL14665656 0.76 ALDH1A1 (0.79) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL7965438 0.75 KDM4E (1.00) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL14090247 0.75 ALDH1A1 (0.64) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL32665694 0.75 KDM4E (0.69) ALDH1A1KDM4EMEN1MAPTKMT2A

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 ALDH1A1 2293/4885KDM4E 2432/4885MEN1 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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