SCHEMBL12742

SCHEMBL12742

c1ccc2c(c1)NCc1[nH]ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.41
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NOS2 P35228 1/20 0.36
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
TRPA1 O75762 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
AHR P35869 1/20 0.31
ADK P55263 1/20 0.31
TLK2 Q86UE8 1/20 0.31
BRPF1 P55201 1/20 0.31

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
SCHEMBL30257404 1.00 JAK2 (0.41) JAK2ALOX15HSD17B10NOS2GAA
SCHEMBL9923726 0.76 NUDT1 (0.32)
SCHEMBL9923727 0.76 AXL (0.36) JAK2ALOX15HSD17B10GAA
SCHEMBL9923725 0.76 NUDT1 (0.35) JAK2
SCHEMBL9923740 0.74
SCHEMBL9923724 0.73 SMN1; SMN2 (0.39) ALOX15GAAKDM4EALDH1A1
SCHEMBL2044985 0.71
Dihydrophenanthridine SCHEMBL29791568 0.70 CA12 (0.56) JAK2ALOX15HSD17B10NOS2GAA
Dihydrophenanthridine SCHEMBL2087461 0.70 CA12 (0.56) JAK2ALOX15HSD17B10NOS2GAA
SCHEMBL30118299 0.69 NOS2 (0.43) JAK2ALOX15HSD17B10NOS2GAA

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115433186-A 4, 5-dihydro-3H-pyrrolo [2,3-c ] quinoline compound and synthetic method thereof 湘潭大学 2022-12-06 CN claimed
CN-115433186-A 4, 5-dihydro-3H-pyrrolo [2,3-c ] quinoline compound and synthetic method thereof 湘潭大学 2022-12-06 CN disclosed
CN-115433186-A 4, 5-dihydro-3H-pyrrolo [2,3-c ] quinoline compound and synthetic method thereof 湘潭大学 2022-12-06 CN disclosed
CN-115433186-A 4, 5-dihydro-3H-pyrrolo [2,3-c ] quinoline compound and synthetic method thereof 湘潭大学 2022-12-06 CN disclosed
US-9687494-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-06-27 US disclosed
US-9687494-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-06-27 US disclosed
US-20160367563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-12-22 US disclosed
US-20160367563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-12-22 US disclosed
US-9475785-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2016-10-25 US disclosed
US-9475785-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2016-10-25 US disclosed
US-8569310-B2 Pentafluorosulfur imino heterocyclic compounds as BACE-1 inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-8563543-B2 Iminothiadiazine dioxide compounds as bace inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-22 US disclosed
US-8563543-B2 Iminothiadiazine dioxide compounds as bace inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-22 US disclosed
US-8557826-B2 Pentafluorosulfur imino heterocyclic compounds as BACE-1 inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-8557826-B2 Pentafluorosulfur imino heterocyclic compounds as BACE-1 inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-20120195881-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS AND THEIR USE SCHERING CORPORATION (US) 2012-08-02 US disclosed
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-07-26 US disclosed
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 US disclosed
US-20120148603-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-06-14 US disclosed
WO-2011044185-A2 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2011-04-14 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 (5 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-20120195881-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, APP, BACE2 JAK2 4377/4885ALOX15 1879/4885HSD17B10 3218/4885
US-20160367563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP JAK2 2593/4885ALOX15 1367/4885HSD17B10 2969/4885
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP JAK2 2562/4885ALOX15 1848/4885HSD17B10 3242/4885
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 JAK2 2630/4885ALOX15 1700/4885HSD17B10 2383/4885
US-20120148603-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 JAK2 4207/4885ALOX15 2847/4885HSD17B10 3455/4885

“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.