SCHEMBL1128530

SCHEMBL1128530

Clc1ncnc2n[nH]cc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CHEK1 O14757 1/20 0.33
ALDH1A1 P00352 2/20 0.32
DYRK1A Q13627 1/20 0.31
AURKA O14965 1/20 0.31
ENPP1 P22413 1/20 0.31
SELE P16581 1/20 0.31
VCAM1 P19320 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4975500 0.74
Tisopurine SCHEMBL7160585 0.74
Hydrochloric Acid SCHEMBL1741651 0.72 PI4KA (0.44) CHEK1DYRK1AAURKA
Hydrochloric Acid SCHEMBL14742344 0.72 PI4KA (0.44) CHEK1DYRK1AAURKA
SCHEMBL1128499 0.70
SCHEMBL17477110 0.69
SCHEMBL6839389 0.69 TP53 (0.46) ALDH1A1
SCHEMBL2112319 0.68 AXL (0.42) ALDH1A1AURKAMEN1KMT2A
SCHEMBL11617353 0.67 CCNB2 (0.33)
SCHEMBL4190372 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349847-B2 Pyrazolo [3,4-D] pyrimidine derivatives as anti-cancer agents KONAKANCHI DURGA PRASAD (IN) 2013-01-08 US claimed
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS NATCO PHARMA LIMITED (IN) 2010-11-25 US claimed
EP-2247596-A2 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS Natco Pharma Limited (IN) 2010-11-10 EP claimed
WO-2009098715-A2 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS NATCO PHARMA LIMITED (IN) 2009-08-13 WO claimed
US-20250197421-A1 MCL1 INHIBITORS GILEAD SCIENCES, INC. 2025-06-19 US disclosed
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2025-06-17 US disclosed
WO-2025044946-A1 COMPOUND ACTING AS MRGPRX2 ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2025-03-06 WO disclosed
CN-119504738-A Compounds as MRGPRX2 antagonists, methods of preparation and use thereof 武汉人福创新药物研发中心有限公司 2025-02-25 CN disclosed
EP-4506035-A2 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2025-02-12 EP disclosed
US-12202842-B2 MCL1 inhibitors GILEAD SCIENCES, INC. (US) 2025-01-21 US disclosed
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2024-09-10 US disclosed
EP-3768668-B1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2024-08-28 EP disclosed
WO-1992012718-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1992-08-06 WO disclosed
EP-0496617-A1 Adenosine kinase inhibitors GENSIA, INC. (US) 1992-07-29 EP disclosed
US-5001127-A 4-substituted pyrazolo[3,4-d]pyrimidine derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1991-03-19 US disclosed
US-4608383-A Cardioactive pyrazole and imidazole aryloxypropanolamines BOEHRINGER MANNHEIM GMBH (DE) 1986-08-26 US disclosed
US-4438128-A ADRENERGIC BLOCKERS BOEHRINGER MANNHEIM GMBH (DE) 1984-03-20 US disclosed
EP-0042593-A1 Aryloxy-propanol amines, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1981-12-30 EP disclosed
US-4087423-A ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1978-05-02 US disclosed
US-4053474-A ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1977-10-11 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-12202842-B2 MCL1 inhibitors MCL1, BCL2L1, BCLAF1 PDE4A 3924/4885PDE4B 3856/4885PDE4C 4037/4885
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 PDE4A 415/4885PDE4B 459/4885PDE4C 370/4885
US-20250197421-A1 MCL1 INHIBITORS MCL1, BCL2L1, BCLAF1 PDE4A 3918/4885PDE4B 3849/4885PDE4C 4026/4885
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS DPYD, TYMP, TYMS PDE4A 1347/4885PDE4B 1350/4885PDE4C 1528/4885
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 PDE4A 415/4885PDE4B 459/4885PDE4C 370/4885

“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.