SCHEMBL308284

SCHEMBL308284

c1cnn(-c2ncc[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 3/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
G6PD P11413 1/20 0.39
KMT2A Q03164 1/20 0.39
NOTUM Q6P988 1/20 0.38
KDM4A O75164 1/20 0.37
KDM4B O94953 1/20 0.37
KDM5C P41229 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37
MAPK1 P28482 2/20 0.35
NPC1 O15118 1/20 0.35
TDO2 P48775 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GRM5 P41594 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
SCHEMBL3985925 0.73 KDM4A (0.54) F2RL1ALDH1A1KDM4ELMNAMEN1
SCHEMBL114028 0.73 HIPK2 (0.41) ALDH1A1MEN1KMT2AHIPK2MAPK1
SCHEMBL18701477 0.69 EGLN1 (0.46) ALDH1A1KDM4ELMNANOTUMKDM4A
SCHEMBL10919818 0.69 CYP2A6 (0.39) ALDH1A1KDM4ELMNAHIPK2SMN1; SMN2
SCHEMBL3582119 0.69 HIPK2 (0.36) ALDH1A1HIPK2SMN1; SMN2
SCHEMBL1581968 0.67 NOTUM (0.42) F2RL1ALDH1A1KDM4ELMNAMEN1
SCHEMBL11102592 0.66 CA12 (0.41) HIPK2
SCHEMBL32810 0.66 KDM4E (0.46) ALDH1A1KDM4ELMNAMEN1GAA
SCHEMBL29220900 0.65 NOTUM (0.39) ALDH1A1LMNAMAPTNOTUMHIPK2
SCHEMBL2687634 0.65 ALDH1A1 (0.38) ALDH1A1KDM4ELMNAMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332964-B Synthesis method of bidentate pyrazolyl nitrogen heterocyclic palladium carbene compound 西北大学 2024-05-24 CN claimed
CN-116332964-A Synthesis method of bidentate pyrazolyl nitrogen heterocyclic palladium carbene compound 西北大学 2023-06-27 CN claimed
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-16 US claimed
CN-103102345-A Aminoquinazoline derivative, salts thereof and application method GUANGDONG HEC PHARMACEUTICAL 2013-05-15 CN claimed
WO-2012082837-A1 METHOD OF MAKING INDENO-FUSED NAPHTHOL MATERIALS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO claimed
EP-2059305-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE Novartis Ag (CH) 2009-05-20 EP claimed
EP-1791825-B1 BENZOYL-SUBSTITUTED SERINE AMIDES BASF SE (DE) 2008-09-17 EP claimed
WO-2008014307-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2008-01-31 WO claimed
EP-1534684-B1 INDAZOLE-AMINOACETONITRILE DERIVATIVES HAVING SPECIAL PESTICIDAL ACTIVITY NOVARTIS AG (CH) 2007-05-02 EP claimed
EP-1639058-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2006-03-29 EP claimed
EP-1115422-A4 USE OF NON-PEPTIDYL COMPOUNDS FOR THE TREATMENT OF INSULIN RELATED AILMENTS UNIV CURTIN TECH (AU) 2003-01-29 EP claimed
US-20020151536-A1 Combinations of peroxisome proliferator-activated receptor (PPAR) activator(s) and sterol absorption inhibitor(s) and treatments for vascular indications SCHERING CORPORATION 2002-10-17 US claimed
EP-1115422-A1 USE OF NON-PEPTIDYL COMPOUNDS FOR THE TREATMENT OF INSULIN RELATED AILMENTS CURTIN UNIVERSITY OF TECHNOLOGY (AU) 2001-07-18 EP claimed
US-6166057-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 2000-12-26 US claimed
WO-2000016798-A1 USE OF NON-PEPTIDYL COMPOUNDS FOR THE TREATMENT OF INSULIN RELATED AILMENTS CURTIN UNIVERSITY OF TECHNOLOGY (AU) 2000-03-30 WO claimed
EP-0874829-A1 AMINO ACID DERIVATIVES, THE PREPARATION AND USE THEREOF AS ENDOTHELIN ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 1998-11-04 EP claimed
WO-1997012878-A1 AMINO ACID DERIVATIVES, THE PREPARATION AND USE THEREOF AS ENDOTHELIN ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 1997-04-10 WO claimed
US-4980348-A HETEROANELLATED PHENYLGLYCINE-BETA-LACTAM ANTIBIOTICS BAYER AKTIENGESELLSCHAFT (DE) 1990-12-25 US claimed
EP-0088276-B1 COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PREPARATIONS BAYER AG (DE) 1986-04-30 EP claimed
EP-0110259-A1 1,4-Dihydropyridines, processes for their preparation and their use in medicines BAYER AG (DE) 1984-06-13 EP claimed

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-20020151536-A1 Combinations of peroxisome proliferator-activated receptor (PPAR) activator(s) and sterol absorption inhibitor(s) and treatments for vascular indications PPARG, PPARA, PPARD F2RL1 468/4885ALDH1A1 1058/4885KDM4E 3879/4885
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC F2RL1 1969/4885ALDH1A1 1245/4885KDM4E 3194/4885

“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.