SCHEMBL3026520

SCHEMBL3026520

c1ccc(Nc2ncc3nc[nH]c3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.60
▸ GSK3B P49841 4/20 0.49
▸ MARK3 P27448 3/20 0.49
▸ AURKA O14965 3/20 0.49
▸ CDK1 P06493 3/20 0.49
▸ LYN P07948 3/20 0.49
▸ RPS6KB1 P23443 3/20 0.49
▸ IGF1R P08069 2/20 0.49
▸ GSK3A P49840 2/20 0.49
▸ JAK2 O60674 2/20 0.49
▸ CDK5 Q00535 2/20 0.49
▸ PDPK1 O15530 2/20 0.49
▸ FGFR1 P11362 2/20 0.49
▸ FGFR3 P22607 2/20 0.49
▸ BLK P51451 2/20 0.49
▸ RPS6KA3 P51812 2/20 0.49
▸ ERBB4 Q15303 2/20 0.49
▸ MARK2 Q7KZI7 2/20 0.49
▸ PLK3 Q9H4B4 2/20 0.49
▸ LCK P06239 2/20 0.49

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
SCHEMBL4409376 0.83 KDR (0.48) CDK2CDK1IGF1RKDRFLT3
Hydrochloric Acid SCHEMBL7659966 0.81 CDK1 (0.58) CDK2CDK1IGF1RJAK2PDPK1
SCHEMBL4551624 0.80 FLT3 (0.44) CDK2CDK1KDRFLT3PTK2
SCHEMBL1019383 0.78 IP6K1 (0.47) CDK2CDK1CYP1A2MAPK1KMT2A
SCHEMBL3014784 0.77 SYK (0.60) CDK2CDK1CDK5CLK4SYK
SCHEMBL3016793 0.77 CDK1 (0.57) CDK2GSK3BMARK3AURKACDK1
SCHEMBL8542827 0.76 HDAC6 (0.44) CDK2RPS6KB1IGF1RCYP3A4TSHR
SCHEMBL6446927 0.75 CDK2 (1.00) CDK2GSK3BMARK3AURKACDK1
SCHEMBL31339126 0.75 RAB9A (0.38) CDK2GSK3BIGF1RGSK3ACDK5
SCHEMBL15380926 0.75 CDK2 (0.54) CDK2GSK3BMARK3AURKACDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204187-A1 Purine Derivatives PALAU PHARMA, S.A. (ES) 2010-08-12 — — US disclosed
US-20040110775-A1 Cyclin dependent kinase inhibiting purine derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-06-10 — — US disclosed
EP-1353922-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES Cancer Research Technology Limited (GB) 2003-10-22 — — EP disclosed
US-20030114414-A1 Methods for synthesizing substituted pyrimidines NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-06-19 — — US disclosed
WO-2002102769-A2 METHODS FOR SYNTHESIZING SUBSTITUTED PYRIMIDINES UNIVERSITY OF MASSACHUSETTS (US) 2002-12-27 — — WO disclosed
WO-2002059125-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-08-01 — — 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 (3 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-20100204187-A1 Purine Derivatives JAK3, JAK1, JAK2 CDK2 137/4885GSK3B 956/4885MARK3 342/4885
US-20030114414-A1 Methods for synthesizing substituted pyrimidines TYMP, NUDT1, TYMS CDK2 151/4885GSK3B 4828/4885MARK3 4282/4885
US-20040110775-A1 Cyclin dependent kinase inhibiting purine derivatives CCNA1, CDKL1, CCNK CDK2 13/4885GSK3B 163/4885MARK3 1495/4885

“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.

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