SCHEMBL810891

SCHEMBL810891

CC(C)(C)n1ncc(C#N)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.41
ABL1 P00519 1/20 0.40
KDR P35968 1/20 0.40
XDH P47989 2/20 0.40
F2 P00734 1/20 0.39
ALDH1A1 P00352 5/20 0.37
POLB P06746 2/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 3/20 0.34
RXFP1 Q9HBX9 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
FNTA P49354 1/20 0.33

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
SCHEMBL6250892 0.84 KMT2A (0.58) KDM4EKMT2AMEN1XDHALDH1A1
SCHEMBL25703580 0.77 MAPT (0.33) KDM4EKMT2AMEN1ALDH1A1POLB
SCHEMBL175251 0.74
SCHEMBL17045700 0.71 TSHR (0.39) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL7883542 0.69 KDM4E (0.47) KDM4EKMT2AMEN1PKMABL1
SCHEMBL25138723 0.69 HPGD (0.33) ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL16796009 0.69
SCHEMBL2193196 0.69 PKM (0.55) KDM4EKMT2AMEN1PKMABL1
SCHEMBL55228 0.69 KDM4E (0.44) KDM4EKMT2AMEN1PKMABL1
SCHEMBL811720 0.68 MAPT (0.68) KDM4EKMT2AMEN1PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025242565-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF IN THE PREVENTION OR THERAPY OF DISEASES Samsara Therapeutics Inc. (US) 2025-11-27 WO disclosed
EP-4653432-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF IN THE PREVENTION OR THERAPY OF DISEASES Samsara Therapeutics Inc. (US) 2025-11-26 EP disclosed
WO-2025137605-A1 COMPOUNDS FOR TARGETED DEGRADATION OF PROTO-ONCOGENE TYROSINE PROTEIN KINASE RECEPTOR C4 THERAPEUTICS, INC. (US) 2025-06-26 WO disclosed
CN-113767106-B Oxazaquinazolin-7 (8H) -ones, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2024-02-20 CN disclosed
EP-3430017-B1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES UNIV CALIFORNIA (US) 2023-01-25 EP disclosed
EP-3430017-B1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES UNIV CALIFORNIA (US) 2023-01-25 EP disclosed
EP-4116303-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER Loxo Oncology, Inc. (US) 2023-01-11 EP disclosed
EP-3350184-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER LOXO ONCOLOGY INC (US) 2022-10-19 EP disclosed
US-20220251109-A1 OXAAZAQUINAZOLINE-7(8H)-KETONE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2022-08-11 US disclosed
CN-114685516-A Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer 洛克索肿瘤学股份有限公司 2022-07-01 CN disclosed
US-20030144266-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-07-31 US disclosed
US-6448253-B1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2002-09-10 US disclosed
US-6407236-B1 TUMOR DIAGNOSIS; ANTIINFLAMMATORY AGENTS; ANTIISCHEMIC AGENTS; ANTIDEPRESSANTS MEDCO RESEARCH, INC. 2002-06-18 US disclosed
WO-2000015231-A1 ADENOSINE A3 RECEPTOR MODULATORS MEDCO RESEARCH INC. (US) 2000-03-23 WO disclosed
US-5958929-A CONGESTIVE HEART FAILURE; HYPOTENSIVE AGENTS SANOFI (FR) 1999-09-28 US disclosed
US-5736548-A CYCLIC GUANOSINE 3*,5*-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; TREATING HEART FAILURE, HYPERTENSION SANOFI (FR) 1998-04-07 US disclosed
WO-1996028448-A1 6-ARYL PYRAZOLO[3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-09-19 WO disclosed
US-5541187-A HYPOTENSIVE AGENTS STERLING WINTHROP INC. (US) 1996-07-30 US disclosed
WO-1995001356-A1 1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE HETEROCYCLIC ANALOGUES HAVING ANTAGONISTIC ACTIVITY ON ADENOSINE A2 RECEPTOR SCHERING-PLOUGH S.P.A. (IT) 1995-01-12 WO disclosed
US-5294612-A Hypotensive agents and cardiovascular disorders STERLING WINTHROP INC. (US) 1994-03-15 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 (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-20220251109-A1 OXAAZAQUINAZOLINE-7(8H)-KETONE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF KRAS, NRAS, WEE1 KDM4E 2618/4885KMT2A 1766/4885MEN1 976/4885
US-20030144266-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 KDM4E 4491/4885KMT2A 2948/4885MEN1 2535/4885

“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.