SCHEMBL18181722

SCHEMBL18181722

CN(c1ccccc1-c1csc2cnc(Cl)nc12)S(C)(=O)=O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 12/20 0.59
ALK Q9UM73 3/20 0.50
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
SYK P43405 1/20 0.38
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
CDK5 Q00535 1/20 0.34
CDC42BPA Q5VT25 1/20 0.34
SRPK1 Q96SB4 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
JAK2 O60674 1/20 0.34

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
SCHEMBL18181673 0.81 PTK2 (0.40) PTK2ALKALOX5APFEN1CDK1
SCHEMBL18181617 0.81 ALK (0.52) PTK2ALKALOX5APFEN1CDK1
SCHEMBL18181705 0.80 PTK2 (0.56) PTK2ALOX5APFEN1SYK
SCHEMBL1682806 0.80 PTK2 (0.62) PTK2
SCHEMBL19920460 0.78 PTK2 (0.39) PTK2ALKSYK
SCHEMBL18410154 0.76 PTK2 (0.66) PTK2ALKJAK2
SCHEMBL1674327 0.72 PTK2 (0.44) PTK2SYK
SCHEMBL18181699 0.72 SYK (0.41) PTK2SYK
SCHEMBL1682867 0.69 TRPA1 (0.41) SYK
SCHEMBL1682791 0.69 PTK2 (0.78) PTK2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10494378-B2 Fused ring pyrimidine compound, intermediate, and preparation method, composition and use thereof GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2019-12-03 US disclosed
EP-3354653-B1 FUSED RING PYRIMIDINE COMPOUND, INTERMEDIATE, AND PREPARATION METHOD, COMPOSITION AND USE THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO LTD (CN) 2019-09-04 EP disclosed
US-20190177332-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2019-06-13 US disclosed
US-10259816-B2 Condensed-ring pyrimidylamino derivative, preparation method therefor, and intermediate, pharmaceutical composition and applications thereof GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2019-04-16 US disclosed
EP-3354653-A1 FUSED RING PYRIMIDINE COMPOUND, INTERMEDIATE, AND PREPARATION METHOD, COMPOSITION AND USE THEREOF Guangzhou Maxinovel Pharmaceuticals Co. Ltd. (CN) 2018-08-01 EP disclosed
US-20180208604-A1 FUSED RING PYRIMIDINE COMPOUND, INTERMEDIATE, AND PREPARATION METHOD, COMPOSITION AND USE THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2018-07-26 US disclosed
US-20180208604-A1 FUSED RING PYRIMIDINE COMPOUND, INTERMEDIATE, AND PREPARATION METHOD, COMPOSITION AND USE THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2018-07-26 US disclosed
US-20180127420-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2018-05-10 US disclosed
US-20180127420-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2018-05-10 US disclosed
EP-3287463-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF Guangzhou Maxinovel Pharmaceuticals Co., Ltd. (CN) 2018-02-28 EP disclosed
WO-2017012559-A1 FUSED RING PYRIMIDINE COMPOUND, INTERMEDIATE, AND PREPARATION METHOD, COMPOSITION AND USE THEREOF 广州再极医药科技有限公司 2017-01-26 WO disclosed
WO-2016169504-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF 广州再极医药科技有限公司 2016-10-27 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-20180208604-A1 FUSED RING PYRIMIDINE COMPOUND, INTERMEDIATE, AND PREPARATION METHOD, COMPOSITION AND USE THEREOF FLT3, FGFR1, FGFR3 PTK2 198/4885ALK 39/4885ALOX5AP 2686/4885
US-10494378-B2 Fused ring pyrimidine compound, intermediate, and preparation method, composition and use thereof FLT3, FGFR1, FGFR3 PTK2 198/4885ALK 39/4885ALOX5AP 2686/4885
US-20190177332-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF WEE1, PDK1, WEE2 PTK2 621/4885ALK 645/4885ALOX5AP 3165/4885
US-20180127420-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF PDK1, WEE1, DCK PTK2 712/4885ALK 770/4885ALOX5AP 3148/4885
US-10259816-B2 Condensed-ring pyrimidylamino derivative, preparation method therefor, and intermediate, pharmaceutical composition and applications thereof WEE1, PDK1, WEE2 PTK2 621/4885ALK 645/4885ALOX5AP 3165/4885

“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.