SCHEMBL2549909

SCHEMBL2549909

Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1sccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 19/20 1.00
PBK Q96KB5 4/20 1.00
CCNK O75909 1/20 1.00
CDK12 Q9NYV4 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
SCHEMBL2547935 1.00 NEK1 (1.00) NEK1PBKCCNKCDK12
SCHEMBL30337717 1.00 NEK1 (1.00) NEK1PBKCCNKCDK12
SCHEMBL2547937 1.00 NEK1 (1.00) NEK1PBKCCNKCDK12
Hydrochloric Acid SCHEMBL15092181 0.99 PBK (1.00) NEK1PBKCCNKCDK12
Bromide SCHEMBL2553279 0.99 NEK1 (0.98) NEK1PBKCCNKCDK12
Bromide SCHEMBL2553276 0.99 NEK1 (0.98) NEK1PBKCCNKCDK12
Hydrochloric Acid SCHEMBL15092184 0.99 PBK (1.00) NEK1PBKCCNKCDK12
Hydrochloric Acid SCHEMBL16908853 0.99 PBK (1.00) NEK1PBKCCNKCDK12
SCHEMBL2546329 0.92 NEK1 (0.85) NEK1PBKCCNKCDK12
SCHEMBL2546327 0.92 NEK1 (0.85) NEK1PBKCCNKCDK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230060581-A1 METHOD OF TREATING PANCREATIC CANCER CEDARS-SINAI MEDICAL CENTER (US) 2023-03-02 US claimed
EP-4103286-A1 METHOD OF TREATING PANCREATIC CANCER Cedars-Sinai Medical Center (US) 2022-12-21 EP claimed
US-9453025-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-09-27 US claimed
EP-2552206-B1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2015-07-22 EP claimed
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE INC (JP) 2015-07-02 US claimed
US-8962648-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-02-24 US claimed
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-07-11 US claimed
EP-2552206-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-02-06 EP claimed
US-12440571-B2 Immune agonists SHENZHEN UNIVERSITY (CN) 2025-10-14 US disclosed
WO-2024222483-A1 ANTIBODY-CONJUGATED IMMUNO-ACTIVATING SMALL MOLECULE COMPOUND, AND USE 深圳市康居正医药科技有限公司 2024-10-31 WO disclosed
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 WO disclosed
EP-4412621-A2 COMPOSITIONS AND METHODS FOR ENHANCED PROTEIN PRODUCTION HDT Bio Corp. (US) 2024-08-14 EP disclosed
US-20240252688-A1 COMPOSITIONS AND METHODS FOR ENHANCED PROTEIN PRODUCTION HDT BIO CORP. 2024-08-01 US disclosed
WO-2024010529-A1 PRODUCTION OF ENANTIOPURE ALCOHOLS, AMINES AND ACIDS FROM RACEMIC EPOXIDES BY CASCADE BIOTRANSFORMATION INVOLVING EPOXIDE ISOMERIZATION AND DYNAMIC KINETIC RESOLUTION NATIONAL UNIVERSITY OF SINGAPORE (SG) 2024-01-11 WO disclosed
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-07-11 US disclosed
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-07-11 US disclosed
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-07-11 US disclosed
EP-2552206-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-02-06 EP disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 WO disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 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 (3 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-12440571-B2 Immune agonists TLR7, TLR3, TLR1 NEK1 2252/4885PBK 50/4885CCNK 3539/4885
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME PBDC1, SBK1, PLK2 NEK1 62/4885PBK 10/4885CCNK 152/4885
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same PBDC1, SBK1, PLK2 NEK1 62/4885PBK 10/4885CCNK 152/4885

“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.