SCHEMBL14090239

SCHEMBL14090239

CN1CCN(c2ccc3nc(-c4cc(-c5cccnc5Cl)ccc4O)[nH]c3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ TOP1 P11387 3/20 0.56
▸ TOP2A P11388 3/20 0.56
▸ HPGD P15428 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ FGFR1 P11362 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ BLM P54132 2/20 0.50
▸ FLT1 P17948 2/20 0.50
▸ SLCO2B1 O94956 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ BCL2L1 Q07817 1/20 0.50
▸ SLCO1B3 Q9NPD5 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ SLCO1B1 Q9Y6L6 1/20 0.50
▸ KDM4E B2RXH2 2/20 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
SCHEMBL14090376 0.91 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14090230 0.88 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14090255 0.84 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14090222 0.84 BRD4 (0.61) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14090247 0.84 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14090215 0.83 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL12834288 0.82 RAB9A (0.45) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14090265 0.81 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14090206 0.79 BRD4 (0.60) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14090233 0.77 HDAC6 (0.58) PDGFRBKDR

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 2293/4885SMN1; SMN2 3752/4885TOP1 1617/4885

“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.

Send feedback