SCHEMBL1090785

SCHEMBL1090785

c1ccc2c(N3CCCCC3)nc(N3CCCCC3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 1.00
HPGD P15428 4/20 1.00
GLA P06280 3/20 1.00
GAA P10253 3/20 1.00
HSD17B10 Q99714 2/20 1.00
TSHR P16473 2/20 1.00
KDM4E B2RXH2 6/20 0.83
ALDH1A1 P00352 5/20 0.83
ATM Q13315 3/20 0.68
MAPK1 P28482 3/20 0.68
CTDSP1 Q9GZU7 1/20 0.68
LMNA P02545 4/20 0.67
ACP1 P24666 2/20 0.67
KMT2A Q03164 2/20 0.67
ALOX15 P16050 1/20 0.67
HTT P42858 1/20 0.67
MEN1 O00255 1/20 0.67
GBA1 P04062 1/20 0.61
TLR7 Q9NYK1 1/20 0.60
MAPT P10636 1/20 0.60

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
SCHEMBL1091130 1.00 L3MBTL1 (1.00) L3MBTL1HPGDGLAGAAHSD17B10
SCHEMBL30454930 0.98 L3MBTL1 (0.97) L3MBTL1HPGDGLAGAAHSD17B10
SCHEMBL11738679 0.98 L3MBTL1 (0.97) L3MBTL1HPGDGLAGAAHSD17B10
SCHEMBL3639719 0.92 L3MBTL1 (0.85) L3MBTL1HPGDGLAGAAHSD17B10
SCHEMBL3675539 0.89 L3MBTL1 (0.80) L3MBTL1HPGDGLAGAAHSD17B10
SCHEMBL3642537 0.89 L3MBTL1 (0.78) L3MBTL1HPGDGLAGAAHSD17B10
Hydrochloric Acid SCHEMBL3670729 0.88 L3MBTL1 (0.78) L3MBTL1HPGDGLAGAAHSD17B10
SCHEMBL3641129 0.86 L3MBTL1 (0.74) L3MBTL1HPGDGLAGAAHSD17B10
SCHEMBL3640898 0.85 L3MBTL1 (0.72) L3MBTL1HPGDGLAGAAHSD17B10
Hydrochloric Acid SCHEMBL3670727 0.85 GAA (0.73) L3MBTL1HPGDGLAGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3956495-A 2,4-Diaminoquinazolines as antithrombotic agents ELI LILLY AND COMPANY (US) 1976-05-11 US claimed
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-8153625-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-10 US disclosed
US-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-02 US disclosed
US-7759336-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-20 US disclosed
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-19 US disclosed
EP-1571146-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-09-07 EP disclosed
US-4048312-A 2,4-Diaminoquinazolines as antithrombotic agents ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed
US-3956495-A 2,4-Diaminoquinazolines as antithrombotic agents ELI LILLY AND COMPANY (US) 1976-05-11 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 (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-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 L3MBTL1 2480/4885HPGD 34/4885GLA 3032/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 L3MBTL1 2480/4885HPGD 34/4885GLA 3032/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 L3MBTL1 2480/4885HPGD 34/4885GLA 3032/4885

“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.