SCHEMBL5073151

SCHEMBL5073151

[c]1nc(-c2nncc3ccccc23)c2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
KDM4E B2RXH2 4/20 0.40
LMNA P02545 4/20 0.40
TP53 P04637 2/20 0.40
CYP3A4 P08684 2/20 0.40
GOT1 P17174 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MPO P05164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAOA P21397 1/20 0.40
PTGS1 P23219 1/20 0.40
THPO P40225 1/20 0.40
AOX1 Q06278 1/20 0.40
ACOX1 Q15067 1/20 0.40
MAPT P10636 3/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL4499780 0.81 KDM4E (0.46) RAB9ANPC1KDM4ELMNATP53
SCHEMBL30523852 0.80 KDM4E (0.55) RAB9ANPC1KDM4ELMNATP53
SCHEMBL1673296 0.80 KDM4E (0.55) RAB9ANPC1KDM4ELMNATP53
SCHEMBL6761566 0.75 KDM4E (0.43) RAB9ANPC1KDM4ELMNACYP3A4
SCHEMBL9265475 0.73 KDM4E (0.36) RAB9ANPC1KDM4ELMNATP53
SCHEMBL5568042 0.73 KDM4E (0.41) RAB9ANPC1KDM4ELMNATP53
SCHEMBL13911023 0.73 KDM4E (0.52) RAB9ANPC1KDM4ELMNATP53
SCHEMBL10640426 0.72 KDM4E (0.38) RAB9ANPC1KDM4ELMNATP53
SCHEMBL184194 0.71 KDM4E (0.38) RAB9ANPC1KDM4ELMNAALDH1A1
SCHEMBL297092 0.71 CYP1A2 (0.50) RAB9ANPC1KDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541408-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2013-09-24 US disclosed
US-8507479-B2 2013-08-13 US disclosed
EP-1545512-B1 Gold (III) complexes as anti-tumor and anti-HIV agents UNIV HONG KONG (CN) 2013-03-20 EP disclosed
US-20120172355-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2012-07-05 US disclosed
EP-1545512-A4 METHODS FOR USING GOLD (III) COMPLEXES AS ANTI-TUMOR AND ANTI-HIV AGENTS UNIV HONG KONG (CN) 2008-07-02 EP disclosed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US disclosed
EP-1545512-A1 METHODS FOR USING GOLD (III) COMPLEXES AS ANTI-TUMOR AND ANTI-HIV AGENTS The University of Hong Kong (CN) 2005-06-29 EP disclosed
WO-2005035500-A2 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2005-04-21 WO disclosed
US-20040063681-A1 Methods for using gold (III) complexes as anti-tumor and anti-HIV agents CHE CHI-MING (CN) 2004-04-01 US disclosed
WO-2004024146-A1 METHODS FOR USING GOLD (III) COMPLEXES AS ANTI-TUMOR AND ANTI-HIV AGENTS THE UNIVERSITY OF HONG KONG (CN) 2004-03-25 WO 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 (3 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-20120172355-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 RAB9A 3119/4885NPC1 1548/4885KDM4E 3353/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 RAB9A 4588/4885NPC1 1189/4885KDM4E 1689/4885
US-20040063681-A1 Methods for using gold (III) complexes as anti-tumor and anti-HIV agents HCCS, ME3, IDH1 RAB9A 3888/4885NPC1 2299/4885KDM4E 1587/4885

“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.