SCHEMBL997866

SCHEMBL997866

O=C(Nc1ccccn1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.89
NPC1 O15118 9/20 0.89
MEN1 O00255 5/20 0.81
KMT2A Q03164 5/20 0.81
PKM P14618 4/20 0.75
NPSR1 Q6W5P4 2/20 0.71
F2 P00734 1/20 0.69
KDM4E B2RXH2 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.63
ALOX15 P16050 1/20 0.63
HCAR3 P49019 1/20 0.62
LMNA P02545 1/20 0.61
GAA P10253 1/20 0.61
CHRNB2 P17787 1/20 0.61
CHRNB4 P30926 1/20 0.61
CHRNA3 P32297 1/20 0.61
CHRNA4 P43681 1/20 0.61
CYP1A2 P05177 1/20 0.61
HSD17B10 Q99714 1/20 0.61

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
SCHEMBL29366822 1.00 RAB9A (0.89) RAB9ANPC1MEN1KMT2APKM
SCHEMBL7189774 0.98 RAB9A (0.86) RAB9ANPC1MEN1KMT2APKM
Hydrochloric Acid SCHEMBL27681799 0.98 RAB9A (0.86) RAB9ANPC1MEN1KMT2APKM
Benzoic Acid SCHEMBL8529424 0.95 RAB9A (0.80) RAB9ANPC1MEN1KMT2APKM
SCHEMBL22636483 0.95 RAB9A (0.80) RAB9ANPC1MEN1KMT2APKM
SCHEMBL7181924 0.93 RAB9A (0.77) RAB9ANPC1MEN1KMT2APKM
SCHEMBL7179355 0.93 RAB9A (0.77) RAB9ANPC1MEN1KMT2APKM
SCHEMBL16583895 0.91 RAB9A (0.86) RAB9ANPC1MEN1KMT2APKM
Acrylic Acid SCHEMBL19137964 0.90 RAB9A (0.73) RAB9ANPC1MEN1KMT2APKM
SCHEMBL6940180 0.90 RAB9A (1.00) RAB9ANPC1MEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4531856-B1 BRUTON'S KINASE INHIBITORS FOR THE TREATMENT OF A SUDDEN ALLERGIC REACTION ALK ABELLO AS (DK) 2026-04-22 EP claimed
US-20250295655-A1 BRUTON'S KINASE INHIBITORS FOR THE TREATMENT OF A SUDDEN ALLERGIC REACTION Alk-Abelló A/S (DK) 2025-09-25 US claimed
EP-3653626-B1 NOVEL 1H-PYRAZOLOPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME DAEWOONG PHARMACEUTICAL CO LTD (KR) 2025-09-17 EP claimed
EP-4580404-A2 SULFONAMIDE APYRASE INHIBITORS Texas Crop Science, Inc. (US) 2025-07-09 EP claimed
EP-4531856-A1 BRUTON'S KINASE INHIBITORS FOR THE TREATMENT OF A SUDDEN ALLERGIC REACTION ALK-Abelló A/S (DK) 2025-04-09 EP claimed
CN-117777474-A Sustained-release polycarboxylate water reducer modified graphene oxide, and preparation method and application thereof 北京建筑材料科学研究总院有限公司 2024-03-29 CN claimed
US-20240099300-A1 SULFONAMIDE APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. 2024-03-28 US claimed
CN-117658515-A Branched-structure graphene oxide-polycarboxylate water reducer composite material and preparation method thereof 北京工业大学 2024-03-08 CN claimed
WO-2024050041-A2 SULFONAMIDE APYRASE INHIBITORS TEXAS CROP SCIENCE (US) 2024-03-07 WO claimed
US-20240024314-A1 Methods of Treating Splenomegaly TELIOS PHARMA, INC. (US) 2024-01-25 US claimed
CN-1626518-A Method for synthesizing ramification in benzamide class of pyridyl DALIAN INST OF CHEMICAL PHYUSI (CN) 2005-06-15 CN claimed
CN-1579628-A Olefine oligomerization catalyst, and its preparation method and use CHINA PETROCHEMICAL CORP (CN) 2005-02-16 CN claimed
EP-1102743-B1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2002-07-24 EP claimed
EP-1140087-A4 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARM CO (US) 2002-04-03 EP claimed
EP-1140087-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP claimed
WO-2000035454-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO claimed
EP-0906321-A1 NOVEL TRANSITION METAL COMPLEXES AND METHOD FOR PREPARING THEM BOREALIS A/S (DK) 1999-04-07 EP claimed
WO-1997045434-A1 NOVEL TRANSITION METAL COMPLEXES AND METHOD FOR PREPARING THEM BOREALIS A/S (DK) 1997-12-04 WO claimed
CN-1098098-A Piperazine derivatives WYETH JOHN & BROTHER LTD (GB) 1995-02-01 CN claimed
WO-1993016053-A1 NOVEL BISTETRAZOL DERIVATIVES HAVING AN ANTIALLERGIC AND CYTOPROTECTIVE ACTIVITY ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1993-08-19 WO 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 (2 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-20240099300-A1 SULFONAMIDE APYRASE INHIBITORS APEH, ARSA, DNPEP RAB9A 1777/4885NPC1 3337/4885MEN1 4795/4885
US-20250295655-A1 BRUTON'S KINASE INHIBITORS FOR THE TREATMENT OF A SUDDEN ALLERGIC REACTION BTK, SYK, ABL1 RAB9A 2807/4885NPC1 3643/4885MEN1 3540/4885

“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.