SCHEMBL504102

SCHEMBL504102

Ic1cnc2ccccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
FLT3 P36888 2/20 0.49
ADORA3 P0DMS8 1/20 0.47
NPC1 O15118 6/20 0.45
ALDH1A1 P00352 5/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MIF P14174 1/20 0.45
PKM P14618 1/20 0.44
EPHB3 P54753 1/20 0.43
RAB9A P51151 5/20 0.42
GGPS1 O95749 1/20 0.41
FDPS P14324 1/20 0.41
DYRK1A Q13627 1/20 0.41
IRAK4 Q9NWZ3 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
SCHEMBL30218031 0.82 NPSR1 (0.39) NPSR1FLT3ADORA3NPC1ALDH1A1
SCHEMBL20019155 0.74 NPSR1 (0.50) NPSR1FLT3ADORA3NPC1ALDH1A1
SCHEMBL3313454 0.74 MIF (0.53) NPSR1FLT3ADORA3NPC1ALDH1A1
SCHEMBL10238 0.74 NPSR1 (0.50) NPSR1FLT3ADORA3NPC1ALDH1A1
SCHEMBL84864 0.74 NPSR1 (0.50) NPSR1FLT3ADORA3NPC1ALDH1A1
SCHEMBL23132987 0.74 NPSR1 (0.53) NPSR1FLT3ADORA3NPC1ALDH1A1
SCHEMBL335455 0.74 PKM (0.51) NPSR1FLT3ADORA3NPC1ALDH1A1
SCHEMBL13325708 0.74 NPC1 (0.50) NPSR1FLT3ADORA3NPC1ALDH1A1
SCHEMBL729145 0.74 NPSR1 (0.50) NPSR1FLT3ADORA3NPC1ALDH1A1
SCHEMBL19748929 0.74 FLT3 (0.58) NPSR1FLT3ADORA3NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
US-11566022-B2 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof NOVARTIS AG (CH) 2023-01-31 US disclosed
US-20220402904-A1 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione Derivatives and Uses thereof NOVARTIS AG (CH) 2022-12-22 US disclosed
US-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2022-06-16 US disclosed
US-11358969-B2 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2022-06-14 US disclosed
US-11053260-B2 Tri-cycle compound and applications thereof FUJIAN COSUNTER PHARMACEUTICAL CO., LTD. (CN) 2021-07-06 US disclosed
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 US disclosed
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 US disclosed
CN-109897033-B Method for synthesizing iodine-containing imidazo [1, 2a ] pyridine compound 浙江工业大学上虞研究院有限公司 2021-06-11 CN disclosed
EP-2094712-A2 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS Vertex Pharmceuticals Incorporated (US) 2009-09-02 EP disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
WO-2008060597-A2 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-05-22 WO disclosed
US-20080103136-A1 Novel Fused Imidazole Derivative MSD K.K. (JP) 2008-05-01 US disclosed
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP disclosed
US-20070219205-A1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-09-20 US disclosed
EP-1813613-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-01 EP 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 (10 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-11566022-B2 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof HBZ, ZFX, HBG1 NPSR1 4663/4885FLT3 2923/4885ADORA3 3805/4885
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 NPSR1 4128/4885FLT3 1824/4885ADORA3 1079/4885
US-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 NPSR1 25/4885FLT3 688/4885ADORA3 123/4885
US-11358969-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 NPSR1 341/4885FLT3 640/4885ADORA3 474/4885
US-20080090860-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB NPSR1 185/4885FLT3 1340/4885ADORA3 206/4885
US-20220402904-A1 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione Derivatives and Uses thereof HBZ, ZFX, HBG1 NPSR1 4631/4885FLT3 2770/4885ADORA3 3598/4885
US-20070219205-A1 Thiophene-carboxamides useful as inhibitors of protein kinases MAP3K20, ABL1, MAP3K5 NPSR1 4375/4885FLT3 382/4885ADORA3 3493/4885
US-11053260-B2 Tri-cycle compound and applications thereof SLC10A1, NR1H4, HAVCR2 NPSR1 3790/4885FLT3 649/4885ADORA3 3616/4885
US-20080103136-A1 Novel Fused Imidazole Derivative HRH4, H1-4, H1-3 NPSR1 192/4885FLT3 58/4885ADORA3 137/4885
US-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR NR1I2, NR1H2, NR1H4 NPSR1 282/4885FLT3 2825/4885ADORA3 393/4885

“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.