SCHEMBL722076

SCHEMBL722076

CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 13/20 1.00
TNIK Q9UKE5 8/20 1.00
IKBKB O14920 2/20 1.00
CHUK O15111 2/20 1.00
ABL1 P00519 2/20 1.00
INSR P06213 2/20 1.00
CDK2 P24941 2/20 1.00
FLT3 P36888 2/20 1.00
SGK1 O00141 1/20 1.00
AURKA O14965 1/20 1.00
PRKAB2 O43741 1/20 1.00
ROCK2 O75116 1/20 1.00
NTRK1 P04629 1/20 1.00
LCK P06239 1/20 1.00
CDK1 P06493 1/20 1.00
IGF1R P08069 1/20 1.00
MET P08581 1/20 1.00
CYP3A4 P08684 1/20 1.00
SRC P12931 1/20 1.00
FLT1 P17948 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
SCHEMBL30529948 1.00 MAP3K11 (1.00) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL30529950 1.00 MAP3K11 (1.00) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL30529951 1.00 MAP3K11 (1.00) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL30529949 1.00 MAP3K11 (1.00) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL721023 0.96 MAP3K11 (0.93) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL12067515 0.91 MAP3K11 (0.84) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL15758725 0.91 MAP3K11 (0.83) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL15165529 0.91 MAP3K11 (0.83) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL12067524 0.90 MAP3K11 (1.00) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL25153323 0.90 MAP3K11 (0.84) MAP3K11TNIKIKBKBCHUKABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4627596-A1 AN INTEGRATIVE FRAMEWORK TO IDENTIFY THERAPEUTIC MOLECULES FOR TREATING PRETERM BIRTH The Regents of University of California (US) 2025-10-08 EP claimed
CN-119838013-A Application of MLK3 inhibitor in preparation of medicament for treating ischemic cerebrovascular disease 华中科技大学同济医学院附属同济医院 2025-04-18 CN claimed
US-20240376071-A1 ACID ADDITION SALTS, COMPOSITIONS, AND METHODS OF TREATING THEREOF Pioneura Corporation 2024-11-14 US claimed
WO-2024175076-A1 USE OF LRRK2 AS THERAPEUTIC AND DIAGNOSTIC TARGET IN TUMOR THERAPY 厦门大学 2024-08-29 WO claimed
CN-118526597-A Application of LRRK2 inhibitor in resisting tumor 厦门大学 2024-08-23 CN claimed
WO-2024155524-A1 AN INTEGRATIVE FRAMEWORK TO IDENTIFY THERAPEUTIC MOLECULES FOR TREATING PRETERM BIRTH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-25 WO claimed
US-11890286-B2 Methods and compositions for treating cancer THE UNIVERSITY OF CHICAGO (US) 2024-02-06 US claimed
WO-2023147576-A1 ACID ADDITION SALTS, COMPOSITIONS, AND METHODS OF TREATING THEREOF Pioneura Corporation (US) 2023-08-03 WO claimed
US-20230190736-A1 SMALL MOLECULE THERAPEUTICS FOR THE TREATMENT OF VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-06-22 US claimed
US-11661409-B1 Acid addition salts, compositions, and methods of treating Pioneura Corporation (US) 2023-05-30 US claimed
US-11479541-B1 Acid addition salts, compositions, and methods of treating thereof Pioneura Corporation (US) 2022-10-25 US claimed
US-20210100803-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER THE UNIVERSITY OF CHICAGO 2021-04-08 US claimed
EP-2925319-B1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES UNIV ROCHESTER (US) 2019-01-09 EP claimed
US-9814704-B2 Substituted pyrrolo[2,3-b]pyridines as MLK inhibitors THE UNIVERSITY OF ROCHESTER (US) 2017-11-14 US claimed
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE THE UNIVERSITY OF ROCHESTER 2016-11-03 US claimed
EP-2379561-B1 MLK INHIBITORS AND METHODS OF USE UNIV ROCHESTER (US) 2015-11-04 EP claimed
US-8877772-B2 Substituted pyrrolo[2,3-B]pyridines as MLK inhibitors UNIVERSITY OF ROCHESTER (US) 2014-11-04 US claimed
CN-122055373-A Bridged tricyclic carbamoyl pyridone compounds and uses thereof 吉利德科学公司 2026-05-15 CN disclosed
EP-2379561-A2 MLK INHIBITORS AND METHODS OF USE University Of Rochester (US) 2011-10-26 EP disclosed
WO-2010068483-A2 MLK INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2010-06-17 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 (4 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-20240376071-A1 ACID ADDITION SALTS, COMPOSITIONS, AND METHODS OF TREATING THEREOF PARK7, BDNF, SNCA MAP3K11 1759/4885TNIK 2899/4885IKBKB 181/4885
US-11661409-B1 Acid addition salts, compositions, and methods of treating MAPT, SNCA, PRNP MAP3K11 1516/4885TNIK 1481/4885IKBKB 191/4885
US-11479541-B1 Acid addition salts, compositions, and methods of treating thereof ABAT, ASS1, GRIK5 MAP3K11 1848/4885TNIK 1942/4885IKBKB 209/4885
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MAP3K11 23/4885TNIK 178/4885IKBKB 476/4885

“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.