SCHEMBL3301514

SCHEMBL3301514

Nc1nc(N)nc(NCc2ccccc2)n1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.74
GPR68 Q15743 5/20 0.68
APP P05067 2/20 0.61
ADORA2A P29274 1/20 0.60
HTR2B P41595 1/20 0.60
HTR1A P08908 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
KCNH3 Q9ULD8 1/20 0.56
GAA P10253 1/20 0.56
RAD52 P43351 1/20 0.53
DHFR P00374 1/20 0.53
TPH1 P17752 1/20 0.52

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 SCHEMBL9247173 0.98 NPSR1 (0.72) NPSR1GPR68APPADORA2AHTR2B
SCHEMBL6727019 0.96 NPSR1 (0.74) NPSR1GPR68APPADORA2AHTR2B
SCHEMBL14869402 0.87 NPSR1 (0.64) NPSR1GPR68APPADORA2AHTR2B
SCHEMBL14869439 0.87 GAA (0.71) NPSR1GPR68APPADORA2AHTR2B
SCHEMBL29609599 0.87 NPSR1 (0.64) NPSR1GPR68APPADORA2AHTR2B
SCHEMBL3298289 0.84 KCNH3 (0.73) NPSR1APPKCNH3GAARAD52
SCHEMBL14869452 0.83 NPSR1 (0.59) NPSR1GPR68APPADORA2AHTR2B
SCHEMBL11819405 0.83 NPSR1 (0.59) NPSR1GPR68ADORA2AHTR2BSMN1; SMN2
SCHEMBL8058873 0.83 NPSR1 (0.59) NPSR1GPR68APPADORA2AHTR2B
SCHEMBL11815396 0.83 NPSR1 (0.59) NPSR1GPR68APPADORA2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040200993-A1 Reactive liquid polymer crosslinking agent and process for preparation LCB WORLDWIDE, INC. 2004-10-14 US claimed
US-20030168629-A1 Reactive liquid polymer crosslinking agent and process for preparation LCB WORLDWIDE, INC. 2003-09-11 US claimed
CN-118702912-A Preparation method of spontaneously degradable cyclic poly (ester-peptide), product and degradation method thereof 浙江大学 2024-09-27 CN disclosed
US-20230312921-A1 LOW-MOLD DEPOSIT HALOGEN-FREE FLAME-RETARDANT THERMOPLASTIC POLYAMIDE COMPOSITION, AND PREPARATION METHOD AND USE THEREOF KINGFA SCI. & TECH.CO., LTD. (CN) 2023-10-05 US disclosed
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMACEUTICALS INC. (US) 2023-09-19 US disclosed
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMACEUTICALS INC. (US) 2023-09-19 US disclosed
EP-4227366-A1 LOW-MOLD DEPOSIT HALOGEN-FREE FLAME-RETARDANT THERMOPLASTIC POLYAMIDE COMPOSITION, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Kingfa Sci. & Tech. Co., Ltd. (CN) 2023-08-16 EP disclosed
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ANJI PHARMACEUTICALS INC. 2022-05-19 US disclosed
US-10668031-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMA (US) LLC (US) 2020-06-02 US disclosed
US-20190076380-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ANJI PHARMACEUTICALS INC. 2019-03-14 US disclosed
US-10028923-B2 Biguanide compositions and methods of treating metabolic disorders ELCELYX THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
EP-0903626-A1 Amino-triazine compounds for (photo)thermographic materials AGFA-GEVAERT N.V. (BE) 1999-03-24 EP disclosed
EP-0789673-B1 METHODS OF COAGULATING AND DECOLORIZING WASTE STREAMS CYTEC TECH CORP (US) 1998-12-16 EP disclosed
US-5807496-A WATER TREATMENT; DEINKING CYTEC TECHNOLOGY CORP. (US) 1998-09-15 US disclosed
US-5792867-A Method of alkylating of triazine derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-11 US disclosed
US-5707532-A RESULTING FROM PAPER RECYCLING, DEINKING, AMINO RESIN AND POLYAMINE FROM EPICHLOROHYDRIN AND DIMETHYLAMINE CYTEC TECHNOLOGY CORP. (US) 1998-01-13 US disclosed
EP-0789673-A1 METHODS OF COAGULATING AND DECOLORIZING WASTE STREAMS CYTEC TECHNOLOGY CORP. (US) 1997-08-20 EP disclosed
EP-0760369-A1 PROCESS FOR ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-05 EP disclosed
EP-0711760-A1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-15 EP disclosed
WO-1996013464-A1 METHODS OF COAGULATING AND DECOLORIZING WASTE STREAMS CYTEC TECHNOLOGY CORPORATION (US) 1996-05-09 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 (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-10668031-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 NPSR1 2780/4885GPR68 2553/4885APP 2243/4885
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 NPSR1 2780/4885GPR68 2553/4885APP 2243/4885
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS SLC5A2, SLC5A1, GPR119 NPSR1 2780/4885GPR68 2553/4885APP 2243/4885
US-20190076380-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 NPSR1 2780/4885GPR68 2553/4885APP 2243/4885
US-10028923-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 NPSR1 2780/4885GPR68 2553/4885APP 2243/4885

“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.