SCHEMBL87556

SCHEMBL87556

Nc1nc[nH]c2nccc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 2/20 0.36
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CSNK1A1 P48729 1/20 0.33
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
PI4KA P42356 2/20 0.32
PI4K2B Q8TCG2 2/20 0.32
PI4K2A Q9BTU6 2/20 0.32
PI4KB Q9UBF8 2/20 0.32
LMNA P02545 1/20 0.32
DRD3 P35462 1/20 0.32
XDH P47989 1/20 0.32
LRRK2 Q5S007 1/20 0.32
PDPK1 O15530 1/20 0.31
PRKCI P41743 1/20 0.31
NOS3 P29474 2/20 0.31
NOS2 P35228 2/20 0.31

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
Hydrochloric Acid SCHEMBL21683018 0.98 GDA (0.35) GDACDK1CDK2MKNK1MKNK2
Hydrochloric Acid SCHEMBL29616692 0.98 GDA (0.35) GDACDK1CDK2MKNK1MKNK2
SCHEMBL1188205 0.74 CSNK2A2 (0.30)
SCHEMBL95557 0.74 CSNK1A1 (0.33) CSNK1A1TYRO3DYRK1BKDM4ECYP3A4
SCHEMBL30682949 0.74 BRD4 (0.36) BRD4
SCHEMBL102202 0.74 MEN1 (0.33) PRKCICYP3A4
SCHEMBL6098036 0.72 GDA (0.36) GDACSNK1A1TYRO3DYRK1BLRRK2
SCHEMBL1057968 0.70 ALDH1A1 (0.43) CDK1CDK2MKNK1MKNK2NOS3
SCHEMBL15109735 0.69 LRRK2 (0.34) LRRK2CYP3A4
SCHEMBL28803778 0.69 MKNK1 (0.54) CDK1CDK2MKNK1MKNK2CSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113039182-B Inhibitors of YAP/TAZ-TEAD interactions and their use in cancer treatment 伊文蒂瓦公司 2024-02-20 CN claimed
US-20230125057-A1 Modified Pyrrolo- and Pyrazolo- Pyrimidines for Prostate Cancer Therapy UNIVERSITY OF WASHINGTON 2023-04-20 US claimed
EP-3860990-B1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER INVENTIVA (FR) 2022-09-14 EP claimed
CN-109983016-B Pyrimido [5,4-b ] indolizine or pyrimido [5,4-b ] pyridine compound, preparation method and application thereof 中国科学院上海药物研究所 2022-02-01 CN claimed
EP-3924050-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS FOR TREATING FAMILIAL DYSAUTONOMIA PTC Therapeutics, Inc. (US) 2021-12-22 EP claimed
US-10829491-B2 Pyrimido[5,4-B]indolizine or pyrimido[5,4-B]pyrrolizine compound, preparation method and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACAD (CN) 2020-11-10 US claimed
WO-2020167624-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS FOR TREATING FAMILIAL DYSAUTONOMIA PTC THERAPEUTICS, INC. (US) 2020-08-20 WO claimed
EP-3546460-B1 PYRIMIDO[5,4-B]INDOLIZINE OR PYRIMIDO[5,4-B]PYRROLIZINE COMPOUND, PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2020-07-08 EP claimed
EP-3546460-A1 PYRIMIDO[5,4-B]INDOLIZINE OR PYRIMIDO[5,4-B]PYRROLIZINE COMPOUND, PREPARATION METHOD AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2019-10-02 EP claimed
US-20190292183-A1 PYRIMIDO[5,4-B]INDOLIZINE OR PYRIMIDO[5,4-B]PYRROLIZINE COMPOUND, PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-09-26 US claimed
CN-104470926-A Substituted pyrrolopyrimidines Bayer Pharma AG 2015-03-25 CN claimed
EP-2504339-A1 BENZENE-FUSED 6-MEMBERED OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES OF BICYCLIC HETEROARYLS Novartis AG (CH) 2012-10-03 EP claimed
US-4266048-A Synthesis of analogs of 3'-phosphoadenosine 5'-phosphosulfate (PAPS) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1981-05-05 US claimed
CN-122059926-A Heterocyclic degradation determinants for target protein degradation C4医药公司 2026-05-19 CN disclosed
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CYSTIC FIBROSIS FOUNDATION (US) 2026-04-28 US disclosed
US-12605450-B2 C3-carbon linked glutarimide Degronimers for target protein degradation C4 THERAPEUTICS, INC. (US) 2026-04-21 US disclosed
US-5514672-A Use of retinoids and compositions containing same for hair growth BAZZANO GAIL S (US) 1996-05-07 US disclosed
WO-1996010028-A1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 1996-04-04 WO disclosed
US-4266048-A Synthesis of analogs of 3'-phosphoadenosine 5'-phosphosulfate (PAPS) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1981-05-05 US disclosed
US-4266048-A Synthesis of analogs of 3'-phosphoadenosine 5'-phosphosulfate (PAPS) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1981-05-05 US 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 (5 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-12605450-B2 C3-carbon linked glutarimide Degronimers for target protein degradation NEDD4, UBE3A, UBE3C GDA 2923/4885CDK1 3370/4885CDK2 3293/4885
US-20190292183-A1 PYRIMIDO[5,4-B]INDOLIZINE OR PYRIMIDO[5,4-B]PYRROLIZINE COMPOUND, PREPARATION METHOD AND USE THEREOF BTK, SYK, CDK8 GDA 1096/4885CDK1 352/4885CDK2 259/4885
US-10829491-B2 Pyrimido[5,4-B]indolizine or pyrimido[5,4-B]pyrrolizine compound, preparation method and use thereof BTK, SYK, CDK8 GDA 1096/4885CDK1 352/4885CDK2 259/4885
US-20230125057-A1 Modified Pyrrolo- and Pyrazolo- Pyrimidines for Prostate Cancer Therapy PDK2, PDK1, PC GDA 553/4885CDK1 284/4885CDK2 253/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 GDA 4298/4885CDK1 4755/4885CDK2 3871/4885

“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.