SCHEMBL14224796

SCHEMBL14224796

Cc1cc(-c2nc3ccncc3[nH]2)n(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.48
NPC1 O15118 4/20 0.48
ALDH1A1 P00352 3/20 0.48
PKM P14618 3/20 0.48
KDM4E B2RXH2 3/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
JMJD6 Q6NYC1 1/20 0.47
METAP1 P53582 2/20 0.47
METAP2 P50579 1/20 0.47
PDE5A O76074 3/20 0.46
ADORA3 P0DMS8 1/20 0.45
RPS6KA5 O75582 1/20 0.44
NPY5R Q15761 1/20 0.43
HPSE Q9Y251 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL14224783 0.86 RPS6KA5 (0.48) AURKANPC1ALDH1A1PKMKDM4E
SCHEMBL14224797 0.81 NPC1 (0.63) NPC1ALDH1A1PKMKDM4ERAB9A
SCHEMBL1170780 0.76 ALDH1A1 (0.68) AURKANPC1ALDH1A1PKMKDM4E
SCHEMBL14224791 0.75 KDM4E (0.40) AURKANPC1ALDH1A1PKMKDM4E
SCHEMBL14224799 0.74 KDM4E (0.38) NPC1ALDH1A1PKMKDM4ERAB9A
SCHEMBL16331618 0.74 ALDH1A1 (0.71) AURKANPC1ALDH1A1PKMKDM4E
SCHEMBL26426627 0.73 PDE5A (0.51) AURKANPC1ALDH1A1PKMKDM4E
SCHEMBL23745062 0.73 RAB9A (0.51) RAB9A
SCHEMBL14224800 0.71 KDM4E (0.30) NPC1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL26426622 0.71 PDE5A (0.52) AURKANPC1ALDH1A1PKMKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS GENESOFT PHARMACEUTICALS, INC. (US) 2008-04-17 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-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS QTRT1, Q6ZSR9, QTRT2 AURKA 857/4885NPC1 796/4885ALDH1A1 2229/4885

“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.