SCHEMBL9980475

SCHEMBL9980475

CCCCCNc1ncc2[nH]cnc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.57
XDH P47989 3/20 0.48
CDK2 P24941 2/20 0.48
PAK1 Q13153 1/20 0.46
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
CCNT1 O60563 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
CCNH P51946 1/20 0.41
DNM2 P50570 3/20 0.39
KCNH3 Q9ULD8 2/20 0.39
MERTK Q12866 4/20 0.38
FLT3 P36888 3/20 0.37

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
SCHEMBL10779057 0.99 POLA1 (0.56) POLA1XDHCDK2PAK1ALDH1A1
SCHEMBL5934362 0.89 POLA1 (0.54) POLA1XDHCDK2PAK1ALDH1A1
SCHEMBL17099324 0.78 XDH (0.43) XDHCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10779046 0.77 XDH (0.44) XDHDNM2KCNH3MERTKFLT3
SCHEMBL10922699 0.76 POLA1 (0.45) POLA1XDHCDK2PAK1ALDH1A1
SCHEMBL10995948 0.76 POLA1 (0.45) POLA1XDHCDK2PAK1ALDH1A1
SCHEMBL5196540 0.76 XDH (0.52) POLA1XDHCDK2PAK1ALDH1A1
SCHEMBL17099330 0.74 XDH (0.55) POLA1XDHCDK2CYP1A2CYP3A4
SCHEMBL9278629 0.74 POLA1 (0.59) POLA1XDHCDK2CYP1A2CYP3A4
SCHEMBL5072707 0.74 CDK2 (0.58) POLA1XDHCDK2PAK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115038702-A Salt of arylamino purine derivative and preparation method and application thereof 石药集团中奇制药技术(石家庄)有限公司 2022-09-09 CN claimed
WO-2021147996-A1 SALT OF ARYLAMINOPURINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 石药集团中奇制药技术(石家庄)有限公司 2021-07-29 WO claimed
EP-2578584-B1 ARYLAMINO PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF SI CHUAN UNIV (CN) 2020-08-12 EP claimed
US-9096601-B2 Arylamino purine derivatives, preparation method and pharmaceutical use thereof CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2015-08-04 US claimed
US-20130203986-A1 Arylamino Purine Derivatives, Preparation Method and Pharmaceutical Use Thereof SI Chuaan University (CN) 2013-08-08 US claimed
EP-2578584-A1 ARYLAMINO PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF Si Chuan University (CN) 2013-04-10 EP claimed
US-20240115575-A1 PHARMACEUTICAL COMPOSITION OF MULTI-TARGET PROTEIN KINASE INHIBITORS, AND USE THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD (CN) 2024-04-11 US disclosed
CN-117777135-A Deuterated arylamino purine derivative and preparation method and application thereof 石药集团中奇制药技术(石家庄)有限公司 2024-03-29 CN disclosed
CN-117777135-A Deuterated arylamino purine derivative and preparation method and application thereof 石药集团中奇制药技术(石家庄)有限公司 2024-03-29 CN disclosed
CN-117777135-A Deuterated arylamino purine derivative and preparation method and application thereof 石药集团中奇制药技术(石家庄)有限公司 2024-03-29 CN disclosed
EP-4272741-A1 PHARMACEUTICAL COMPOSITION OF MULTI-TARGET PROTEIN KINASE INHIBITORS, AND USE THEREOF CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2023-11-08 EP disclosed
CN-115038702-A Salt of arylamino purine derivative and preparation method and application thereof 石药集团中奇制药技术(石家庄)有限公司 2022-09-09 CN disclosed
CN-115038702-A Salt of arylamino purine derivative and preparation method and application thereof 石药集团中奇制药技术(石家庄)有限公司 2022-09-09 CN 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
CN-103003278-A Arylamino purine derivatives, preparation method and medical application thereof CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY SHIJIAZHUANG CO LTD 2013-03-27 CN disclosed
CN-103003278-A Arylamino purine derivatives, preparation method and medical application thereof CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY SHIJIAZHUANG CO LTD 2013-03-27 CN disclosed
CN-103003278-A Arylamino purine derivatives, preparation method and medical application thereof CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY SHIJIAZHUANG CO LTD 2013-03-27 CN disclosed
WO-2011147066-A1 ARYLAMINO PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 四川大学 (CN) 2011-12-01 WO 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 (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-20240115575-A1 PHARMACEUTICAL COMPOSITION OF MULTI-TARGET PROTEIN KINASE INHIBITORS, AND USE THEREOF DMPK, PRKCB, PRKCA POLA1 2837/4885XDH 3839/4885CDK2 132/4885
US-20130203986-A1 Arylamino Purine Derivatives, Preparation Method and Pharmaceutical Use Thereof EGFR, PNP, GART POLA1 723/4885XDH 340/4885CDK2 1093/4885

“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.