SCHEMBL14091406

SCHEMBL14091406

O=C(c1ccc2nc(-c3nc(-c4ccccc4)cs3)[nH]c2c1)N1CCN(CCO)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ BRCA1 P38398 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ MGLL Q99685 1/20 0.49
▸ CDK5 Q00535 2/20 0.46
▸ CDK5R1 Q15078 2/20 0.46
▸ FGFR1 P11362 3/20 0.44
▸ KDR P35968 3/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ ACACB O00763 2/20 0.43

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
SCHEMBL14091390 0.91 NR4A2 (0.45) MGLLCDK5CDK5R1FGFR1KDR
SCHEMBL14091238 0.85 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EMEN1TP53
SCHEMBL14090244 0.80 MGLL (0.50) MGLLFGFR1KDRPDGFRBACACB
SCHEMBL14091267 0.77 ATR (0.56) ALDH1A1MEN1HPGDKMT2ACDK5
SCHEMBL14091370 0.77 HDAC6 (0.53) ALDH1A1MAPTKDM4EMEN1TP53
SCHEMBL25138166 0.76 MGLL (0.49) MGLLFGFR1KDRPDGFRBFGFR2
SCHEMBL12834401 0.76 FGFR1 (0.52) KDM4EMGLLFGFR1KDRPDGFRB
SCHEMBL14091368 0.76 HDAC6 (0.62) MEN1KMT2APDGFRBHDAC6HDAC3
SCHEMBL14090211 0.75 PKN1 (0.44) MGLLCDK5CDK5R1FGFR1KDR
SCHEMBL14091505 0.75 KDM4E (0.60) ALDH1A1MAPTKDM4EMEN1TP53

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 2293/4885MAPT 3154/4885KDM4E 2432/4885

“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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