Sugi Predict

Sugi Predict / Compounds / SCHEMBL1218

SCHEMBL1218

SCHEMBL1218

CN(C)C=CC(=O)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.65
▸ RECQL P46063 2/20 0.64
▸ MAPT P10636 5/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ CYP1A2 P05177 5/20 0.58
▸ CYP1A1 P04798 3/20 0.58
▸ CYP1B1 Q16678 3/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ HPGD P15428 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAPK1 P28482 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ LMNA P02545 2/20 0.52
▸ CYP2C19 P33261 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ GPR52 Q9Y2T5 1/20 0.51

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
SCHEMBL1643 1.00 HTT (0.65) HTTRECQLMAPTKMT2AMEN1
SCHEMBL29364482 1.00 HTT (0.65) HTTRECQLMAPTKMT2AMEN1
SCHEMBL9486033 1.00 HTT (0.65) HTTRECQLMAPTKMT2AMEN1
SCHEMBL30269691 1.00 HTT (0.65) HTTRECQLMAPTKMT2AMEN1
SCHEMBL6258932 0.94 HTT (0.58) HTTRECQLMAPTKMT2AMEN1
SCHEMBL16795470 0.94 HTT (0.58) HTTRECQLMAPTKMT2AMEN1
SCHEMBL7368742 0.83 MAPK1 (0.60) HTTMAPTKMT2AMEN1CYP1A2
SCHEMBL7368740 0.83 MAPK1 (0.60) HTTMAPTKMT2AMEN1CYP1A2
SCHEMBL10036804 0.81 CYP1A1 (0.63) MAPTKMT2AMEN1CYP1A2CYP1A1
SCHEMBL166048 0.81 CYP1A1 (0.63) MAPTKMT2AMEN1CYP1A2CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111912977-B Photosensitive detection system and manufacturing method and application thereof 杜旭忠 2023-09-12 — — CN claimed
CN-113406236-B Method for detecting impurities in 1- (3-pyridyl) -3- (dimethylamino) -2-propylene-1-ketone 海南鑫开源医药科技有限公司 2023-04-18 — — CN claimed
CN-113354573-B Method for large-scale production of alpha, alpha-terpyridine 河南阿尔法医药科技有限公司 2023-03-17 — — CN claimed
CN-115594667-A Benzimidazole compound and preparation method and application thereof 北京京佑奇康科技有限公司（CN） 2023-01-13 — — CN claimed
CN-110156672-B Preparation method of semicarbazide compound and application of prepared compound 浙江师范大学 2022-06-10 — — CN claimed
CN-113406236-A Method for detecting impurities in 1- (3-pyridyl) -3- (dimethylamino) -2-propylene-1-ketone 海南鑫开源医药科技有限公司 2021-09-17 — — CN claimed
CN-113354573-A Method for large-scale production of alpha, alpha-terpyridine 河南阿尔法医药科技有限公司 2021-09-07 — — CN claimed
CN-111912977-A Photosensitive detection system and manufacturing method and application thereof 杜旭忠 2020-11-10 — — CN claimed
CN-111039921-A Synthesis process of imatinib and imatinib mesylate 杭州沧海帆医药科技有限公司 2020-04-21 — — CN claimed
CN-107739368-B N-substituted-5- ((4-substituted pyrimidine-2-yl) amino) indole derivatives, and preparation method and application thereof 厦门大学 2020-02-14 — — CN claimed
US-7674901-B2 Process for preparation of imatinib base INSTYTUT FARMACEUTYCZNY (PL) 2010-03-09 — — US claimed
WO-2010014022-A1 A PROCESS FOR THE PREPARATION OF IMATINIB TEMAPHARM SP. Z O.O. (PL) 2010-02-04 — — WO claimed
US-20090227611-A1 CRYSTAL FORM OF PHENYLAMINO PYRIMIDINE DERIVATIVES NATCO PHARMA LIMITED (IN) 2009-09-10 — — US claimed
US-20080306100-A1 PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE NATCO PHARMA LIMITED (IN) 2008-12-11 — — US claimed
US-20080249121-A1 INTERMEDIATES AND A PROCESS EMPLOYING THE INTERMEDIATES FOR THE PREPARATION OF (3-TRIFLUOROMETHYLSULFONYL)-N-[4-METHYL-3-(4-PYRIDIN-3YL-PYRIMIDIN-2YLAMINO)-PHENYL]-BENZAMIDE NATCO PHARMA LIMITED (IN) 2008-10-09 — — US claimed
US-20080194819-A1 Process For Preparation of Imatinib Base INSTYTUT FARMACEUTYCZNY (PL) 2008-08-14 — — US claimed
EP-1833815-A2 A PROCESS FOR PREPARATION OF IMATINIB BASE INSTYTUT FARMACEUTYCZNY (PL) 2007-09-19 — — EP claimed
US-20060149061-A1 Novel process for preparing Imatinib PERRIGO API LTD. (IL) 2006-07-06 — — US claimed
WO-2006071130-A2 A PROCESS FOR PREPARATION OF IMATINIB BASE INSTYTUT FARMACEUTYCZNY (PL) 2006-07-06 — — WO claimed
WO-2004108699-A1 PROCESS FOR THE PREPARATION OF THE ANTI-CANCER DRUG IMATINIB AND ITS ANALOGUES NATCO PHARMA LIMITED (IN) 2004-12-16 — — WO 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 (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-20080194819-A1 Process For Preparation of Imatinib Base ABL1, ABL2, JAK2 HTT 2724/4885RECQL 2960/4885MAPT 3845/4885
US-20080306100-A1 PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE ABL1, ABL2, BCR HTT 4240/4885RECQL 3136/4885MAPT 3099/4885
US-20060149061-A1 Novel process for preparing Imatinib ABL1, ABL2, PDGFRA HTT 3555/4885RECQL 3262/4885MAPT 3956/4885
US-20080249121-A1 INTERMEDIATES AND A PROCESS EMPLOYING THE INTERMEDIATES FOR THE PREPARATION OF (3-TRIFLUOROMETHYLSULFONYL)-N-[4-METHYL-3-(4-PYRIDIN-3YL-PYRIMIDIN-2YLAMINO)-PHENYL]-BENZAMIDE AZI2, NNMT, ALKBH2 HTT 2952/4885RECQL 3631/4885MAPT 2279/4885
US-20090227611-A1 CRYSTAL FORM OF PHENYLAMINO PYRIMIDINE DERIVATIVES WEE1, TP53, CDKN1A HTT 3579/4885RECQL 956/4885MAPT 1254/4885

“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.