SCHEMBL14224783

SCHEMBL14224783

Cn1cc(N)cc1-c1nc2ccncc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 1/20 0.48
AURKA O14965 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
PKM P14618 2/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
METAP1 P53582 2/20 0.45
METAP2 P50579 1/20 0.45
PDE5A O76074 3/20 0.44
ADORA3 P0DMS8 1/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NPY5R Q15761 1/20 0.41
HPSE Q9Y251 1/20 0.40
JMJD6 Q6NYC1 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40

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
SCHEMBL14224791 0.89 KDM4E (0.40) RPS6KA5AURKAALDH1A1KDM4EPKM
SCHEMBL14224796 0.86 AURKA (0.48) RPS6KA5AURKAALDH1A1KDM4EPKM
SCHEMBL14224532 0.82 NPC1 (0.60) ALDH1A1KDM4EPKMHPGDNPC1
SCHEMBL24630455 0.80 RAB9A (0.56) ALDH1A1KDM4EPKMHPGDNPC1
SCHEMBL14224790 0.76 KDM4E (0.37) ALDH1A1KDM4EPKMHPGDNPC1
SCHEMBL14224670 0.76 AMY1A (0.40) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL26243086 0.74 RAB9A (0.49) RAB9ASMN1; SMN2MAPT
SCHEMBL14224794 0.74 EGFR (0.33)
SCHEMBL1170780 0.74 ALDH1A1 (0.68) RPS6KA5AURKAALDH1A1KDM4EPKM
SCHEMBL5330556 0.73 CBFB (0.46) KDM4ENPC1MAPTPDE3BPDE3A

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 2 patents. 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
US-7265129-B2 Anti-infective biaryl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2007-09-04 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 RPS6KA5 864/4885AURKA 857/4885ALDH1A1 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.