SCHEMBL5250334

SCHEMBL5250334

Ic1ccc2nncn2c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.46
SCN5A Q14524 1/20 0.44
MAPK14 Q16539 1/20 0.40
MLLT1 Q03111 12/20 0.39
MAOB P27338 1/20 0.37
APP P05067 1/20 0.37
MLLT3 P42568 4/20 0.35
TGFBR1 P36897 1/20 0.35
KDM4E B2RXH2 1/20 0.35
YEATS2 Q9ULM3 1/20 0.34

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
SCHEMBL15008043 0.74 MAPK14 (0.54) DNMT1SCN5AMAPK14MLLT1MAOB
SCHEMBL2736776 0.74 DNMT1 (0.46) DNMT1SCN5AMAPK14MLLT1MAOB
SCHEMBL252922 0.74 PIK3CG (0.47) DNMT1SCN5AMAPK14MLLT1MAOB
SCHEMBL24816112 0.74 DNMT1 (0.46) DNMT1SCN5AMAPK14MLLT1MAOB
SCHEMBL17425964 0.74 MLLT1 (0.44) DNMT1SCN5AMAPK14MLLT1MLLT3
SCHEMBL23432690 0.72 MLLT1 (0.49) DNMT1SCN5AMAPK14MLLT1MAOB
SCHEMBL23618940 0.71 KDM4E (0.37) DNMT1SCN5AMLLT1MAOBKDM4E
SCHEMBL2669666 0.69 DNMT1 (0.42) DNMT1SCN5AMAPK14MLLT1MAOB
SCHEMBL6813380 0.69 MLLT1 (0.58) DNMT1SCN5AMAPK14MLLT1MLLT3
SCHEMBL11379662 0.69 SCN5A (0.59) DNMT1SCN5AMAPK14TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2023146991-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
US-20230167068-A1 BENZOPYRAZOLE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-06-01 US disclosed
US-20230167068-A1 BENZOPYRAZOLE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-06-01 US disclosed
EP-3686199-B9 FUSED RING DERIVATIVE AS A2A RECEPTOR INHIBITOR CSTONE PHARMACEUTICALS SUZHOU CO LTD (CN) 2022-12-07 EP disclosed
WO-2021136431-A1 BENZO[D][1,2,3]TRIAZOLE ETHER COMPOUND 南京明德新药研发有限公司 2021-07-08 WO disclosed
WO-2021136429-A1 BENZOPYRAZOLE COMPOUND 南京明德新药研发有限公司 2021-07-08 WO disclosed
EP-3686199-A1 FUSED RING DERIVATIVE AS A2A RECEPTOR INHIBITOR CSTONE PHARMACEUTICALS (SUZHOU) CO., LTD. (CN) 2020-07-29 EP disclosed
EP-2802576-B1 HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-27 EP disclosed
WO-2018086585-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 WO disclosed
WO-2015051341-A1 INHIBITORS OF ERK AND METHODS OF USE ARAXES PHARMA LLC (US) 2015-04-09 WO disclosed
EP-2818471-A1 Nitrogen bicyclic compounds as inhibitors for Scyl1 and Grk5 Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 EP disclosed
EP-2818471-A1 Nitrogen bicyclic compounds as inhibitors for Scyl1 and Grk5 Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 EP disclosed
EP-1562925-B1 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2007-01-03 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 (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-20230167068-A1 BENZOPYRAZOLE COMPOUND ABCB1, CYP3A43, CYP3A5 DNMT1 4782/4885SCN5A 464/4885MAPK14 896/4885

“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.