SCHEMBL440486

SCHEMBL440486

c1ccc(Nc2ccnc(Nc3ccccc3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 1.00
NPC1 O15118 4/20 1.00
RAB9A P51151 4/20 1.00
MAPT P10636 3/20 1.00
MAPK1 P28482 3/20 1.00
CHEK1 O14757 1/20 1.00
IKBKB O14920 1/20 1.00
PDPK1 O15530 1/20 1.00
CHEK2 O96017 1/20 1.00
PRKCG P05129 1/20 1.00
CDK1 P06493 1/20 1.00
LYN P07948 1/20 1.00
KIT P10721 1/20 1.00
PIM1 P11309 1/20 1.00
FGFR1 P11362 1/20 1.00
FGFR3 P22607 1/20 1.00
RPS6KB1 P23443 1/20 1.00
CDK2 P24941 1/20 1.00
MARK3 P27448 1/20 1.00
EPHA2 P29317 1/20 1.00

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
SCHEMBL31046509 0.90 AURKA (0.81) AURKANPC1RAB9AMAPTMAPK1
SCHEMBL4621303 0.90 NPC1 (0.87) AURKANPC1RAB9AMAPTMAPK1
SCHEMBL5384269 0.90 AURKA (0.87) AURKANPC1RAB9AMAPTMAPK1
SCHEMBL7775625 0.87 AURKA (0.77) AURKANPC1RAB9AMAPTMAPK1
SCHEMBL7775628 0.87 AURKA (0.77) AURKANPC1RAB9AMAPTMAPK1
SCHEMBL20927073 0.86 AURKA (0.73) AURKANPC1RAB9AMAPTMAPK1
SCHEMBL31046257 0.86 AURKA (0.73) AURKANPC1RAB9AMAPTMAPK1
SCHEMBL654565 0.85 AURKA (0.73) AURKANPC1RAB9AMAPTMAPK1
SCHEMBL3297883 0.84 AURKA (0.71) AURKANPC1RAB9AMAPTMAPK1
Hydrochloric Acid SCHEMBL15487562 0.84 AURKA (0.97) AURKANPC1RAB9AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116425735-B 2, 4-Diphenylamine pyrimidine derivative, and preparation method and application thereof 中南大学 2025-06-17 CN claimed
EP-3720493-B1 COMBINATIONS OF RIPK1- AND IKK-INHIBITORS FOR THE PREVENTION OR TREATMENT OF IMMUNE DISEASES UNIV KOELN (DE) 2024-07-24 EP claimed
CN-116425735-A 2, 4-diphenylamine pyrimidine derivative, and preparation method and application thereof 中南大学 2023-07-14 CN claimed
CN-115286583-A Diphenylaminopyrimidine-containing compound, preparation and application thereof as HDACs enzyme inhibitor 山东大学 2022-11-04 CN claimed
US-20220202950-A1 COMPOSITIONS COMPRISING BACTERIALLY DERIVED INTACT MINICELLS FOR THERANOSTIC APPLICATIONS ENGENEIC MOLECULAR DELIVERY PTY LTD (AU) 2022-06-30 US claimed
CN-114181160-A 2, 4-dianilinopyrimidine-containing hydrazide derivative and preparation method and application thereof 南通大学 2022-03-15 CN claimed
WO-2020222161-A1 COMPOSITIONS COMPRISING BACTERIALLY DERIVED INTACT MINICELLS FOR THERANOSTIC APPLICATIONS ENGENEIC MOLECULAR DELIVERY PTY LTD (AU) 2020-11-05 WO claimed
EP-2809157-B1 FUNGICIDAL PYRAZOLE MIXTURES DU PONT (US) 2017-09-06 EP claimed
EP-1661886-B1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS AGRO INC (JP) 2016-08-10 EP claimed
EP-2557925-B1 CO-CRYSTALS OF CYPRODINIL SYNGENTA LTD (GB) 2016-06-22 EP claimed
EP-1824856-B1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-10-23 EP claimed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 US claimed
EP-2201001-B1 NOVEL IMIDAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-14 EP claimed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 US claimed
EP-1824856-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-29 EP claimed
WO-2006061415-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-15 WO claimed
EP-1132387-B1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL FUNGICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2005-09-28 EP claimed
EP-1411766-B1 FUNGICIDAL COMPOSITION AND USE OF THIS COMPOSITION FOR CONTROLLING PLANT DISEASES BAYER CROPSCIENCE SA (FR) 2005-03-16 EP claimed
EP-0793914-B1 Fungicidal Composition SUMITOMO CHEMICAL CO (JP) 1999-09-15 EP claimed
EP-0347866-B1 ANILINOPYRIMIDINE DERIVATIVES IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1993-04-07 EP claimed

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-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 AURKA 4202/4885NPC1 394/4885RAB9A 3616/4885

“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.