SCHEMBL12064950

SCHEMBL12064950

CN1CCN(c2ccc(Nc3ncc(N)c(N)n3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 10/20 0.62
CCND1 P24385 8/20 0.62
ALK Q9UM73 1/20 0.60
CDK2 P24941 3/20 0.59
CDK1 P06493 3/20 0.59
EGFR P00533 3/20 0.58
FLT3 P36888 1/20 0.57
MAP4K1 Q92918 1/20 0.56
CCND3 P30281 5/20 0.55
CCND2 P30279 4/20 0.55
CCNA2 P20248 2/20 0.55
AURKA O14965 2/20 0.55
CCNK O75909 1/20 0.55
CDK9 P50750 1/20 0.55
CDK6 Q00534 1/20 0.55
CCNB2 O95067 1/20 0.55
CCNE2 O96020 1/20 0.55
FGFR1 P11362 1/20 0.55
CCNB1 P14635 1/20 0.55
FGFR2 P21802 1/20 0.55

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
SCHEMBL30620425 0.88 CDK4 (0.67) CDK4CCND1ALKCDK2CDK1
SCHEMBL270386 0.88 CDK4 (0.67) CDK4CCND1ALKCDK2CDK1
SCHEMBL12065029 0.86 ALK (0.63) ALKCDK2EGFRFLT3CCND3
SCHEMBL14001919 0.84 ALK (0.77) ALKCDK2EGFRMAP4K1CCND3
SCHEMBL12197982 0.84 CDK4 (0.57) CDK4CCND1ALKCDK2CDK1
SCHEMBL2479934 0.84 NPC1 (0.60) CDK4CCND1ALKCDK2CDK1
SCHEMBL2951233 0.83 ALK (0.62) CDK4CCND1ALKCDK2EGFR
SCHEMBL12064885 0.83 ALK (0.59) CDK4CCND1ALKCDK2CDK1
SCHEMBL14837275 0.82 SYK (0.73) ALKEGFRSYKBRD4
SCHEMBL14847406 0.82 EGFR (0.62) CDK4CCND1ALKCDK2CDK1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2578584-B1 ARYLAMINO PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF SI CHUAN UNIV (CN) 2020-08-12 EP disclosed
EP-2578584-B1 ARYLAMINO PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF SI CHUAN UNIV (CN) 2020-08-12 EP disclosed
CN-105832740-B Aryl amine purine derivative and preparation method thereof and purposes in medicine 石药集团中奇制药技术(石家庄)有限公司 2019-02-12 CN disclosed
CN-105832740-A Aromatic amino purine derivative as well as preparation method and pharmaceutical application thereof 石药集团中奇制药技术(石家庄)有限公司 2016-08-10 CN disclosed
CN-103003278-B Arylamino purine derivatives, preparation method and medical application thereof CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) Co.,Ltd. (CN) 2016-03-30 CN disclosed
US-9096601-B2 Arylamino purine derivatives, preparation method and pharmaceutical use thereof CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2015-08-04 US disclosed
US-9096601-B2 Arylamino purine derivatives, preparation method and pharmaceutical use thereof CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2015-08-04 US disclosed
US-9096601-B2 Arylamino purine derivatives, preparation method and pharmaceutical use thereof CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2015-08-04 US disclosed
US-20130203986-A1 Arylamino Purine Derivatives, Preparation Method and Pharmaceutical Use Thereof SI Chuaan University (CN) 2013-08-08 US disclosed
US-20130203986-A1 Arylamino Purine Derivatives, Preparation Method and Pharmaceutical Use Thereof SI Chuaan University (CN) 2013-08-08 US disclosed
US-20130203986-A1 Arylamino Purine Derivatives, Preparation Method and Pharmaceutical Use Thereof SI Chuaan University (CN) 2013-08-08 US disclosed
EP-2578584-A1 ARYLAMINO PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF Si Chuan University (CN) 2013-04-10 EP disclosed
EP-2578584-A1 ARYLAMINO PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF Si Chuan University (CN) 2013-04-10 EP disclosed
WO-2011147066-A1 ARYLAMINO PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 四川大学 (CN) 2011-12-01 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 (1 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-20130203986-A1 Arylamino Purine Derivatives, Preparation Method and Pharmaceutical Use Thereof EGFR, PNP, GART CDK4 1380/4885CCND1 905/4885ALK 17/4885

“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.