SCHEMBL310046

SCHEMBL310046

COc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ccc1N

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.62
QDPR P09417 1/20 0.53
NAMPT P43490 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
STS P08842 1/20 0.48
HTT P42858 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PDE4A P27815 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
ALOX12 P18054 1/20 0.46

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
SCHEMBL30957975 1.00 PDE4B (0.62) PDE4BQDPRNAMPTMEN1KMT2A
SCHEMBL30761541 0.94 PDE4B (0.56) PDE4BQDPRNAMPTMEN1KMT2A
SCHEMBL3317065 0.91 PDE4B (0.62) PDE4BQDPRNAMPTMEN1KMT2A
SCHEMBL17410950 0.89 PDE4B (0.51) PDE4BQDPRNAMPTMEN1KMT2A
SCHEMBL521610 0.89 PDE4B (0.51) PDE4BQDPRNAMPTMEN1KMT2A
SCHEMBL17304119 0.88 PDE4B (0.62) PDE4BNAMPTKDM4EMAPTTHRB
SCHEMBL15157112 0.88 NAMPT (0.54) PDE4BNAMPTKDM4EMAPTTHRB
SCHEMBL30778326 0.88 NAMPT (0.54) PDE4BNAMPTKDM4EMAPTTHRB
SCHEMBL12479359 0.87 PDE4B (0.51) PDE4BQDPRNAMPTKDM4EMAPT
SCHEMBL15755274 0.87 PDE4B (0.51) PDE4BQDPRNAMPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110799190-B Heterocyclic compounds 卡都瑞恩医药有限公司 2024-04-19 CN disclosed
EP-3640246-B1 N2,N4-DIPHENYLPYRIMIDINE-2,4-DIAMINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER KOREA RES INST CHEMICAL TECH (KR) 2023-11-01 EP disclosed
WO-2023160614-A1 COMPOUND AS FAK INHIBITOR AND USE THEREOF 微境生物医药科技(上海)有限公司 2023-08-31 WO disclosed
US-20230227460-A1 FUSED AZA-HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD (CN) 2023-07-20 US disclosed
US-20230227460-A1 FUSED AZA-HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD (CN) 2023-07-20 US disclosed
WO-2023083362-A1 DRUG FOR TREATING TUMORS 石药集团中奇制药技术(石家庄)有限公司 2023-05-19 WO disclosed
US-20220249482-A1 N2,N4-DIPHENYLPYRIMIDINE-2,4-DIAMINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-08-11 US disclosed
US-11253516-B2 N2,N4-diphenylpyrimidine-2,4-diamine derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient for prevention or treatment of cancer KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-02-22 US disclosed
US-11253516-B2 N2,N4-diphenylpyrimidine-2,4-diamine derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient for prevention or treatment of cancer KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-02-22 US disclosed
US-11197858-B2 Substituted amines for treating cardiac diseases CARDURION PHARMACEUTICALS, LLC (US) 2021-12-14 US disclosed
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 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 (7 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 PDE4B 551/4885QDPR 511/4885NAMPT 762/4885
US-11197858-B2 Substituted amines for treating cardiac diseases TNNI3, CALM1, CAMK2G PDE4B 806/4885QDPR 242/4885NAMPT 3087/4885
US-20220249482-A1 N2,N4-DIPHENYLPYRIMIDINE-2,4-DIAMINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER FLT3, EGFR, ERBB2 PDE4B 2582/4885QDPR 207/4885NAMPT 647/4885
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity IGF1R, CDK2, TK1 PDE4B 1335/4885QDPR 922/4885NAMPT 614/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 PDE4B 551/4885QDPR 511/4885NAMPT 762/4885
US-20230227460-A1 FUSED AZA-HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF ROS1, ALK, ROR1 PDE4B 2980/4885QDPR 2723/4885NAMPT 1109/4885
US-11253516-B2 N2,N4-diphenylpyrimidine-2,4-diamine derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient for prevention or treatment of cancer FLT3, EGFR, ERBB2 PDE4B 2582/4885QDPR 207/4885NAMPT 647/4885

“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.