SCHEMBL5675151

SCHEMBL5675151

COc1cccc(-c2cc3c(N4CCCC4C(N)=O)nc(-c4ccncc4)nc3[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.45
KIT P10721 10/20 0.42
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
MAPKAPK2 P49137 1/20 0.39
ACVR1 Q04771 2/20 0.39
FPR2 P25090 2/20 0.39
SCN9A Q15858 2/20 0.39
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38

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
SCHEMBL5675162 0.88 MAT2A (0.44) CDC7KITFPR2SCN9A
SCHEMBL4078297 0.77 MAT2A (0.47) KITACVR1FPR2SCN9A
SCHEMBL4084126 0.77 MAT2A (0.47) KITACVR1FPR2SCN9A
SCHEMBL4083507 0.76 MAT2A (0.43) ACVR1FPR2SCN9A
SCHEMBL7751006 0.75 MAT2A (0.46) ACVR1FPR2SCN9A
SCHEMBL4077720 0.75 MAT2A (0.47) ACVR1FPR2SCN9A
SCHEMBL7749780 0.75 MAT2A (0.47) ACVR1FPR2SCN9A
SCHEMBL4074751 0.75 MAT2A (0.42) ACVR1FPR2SCN9A
SCHEMBL7751002 0.74 MAT2A (0.43) ACVR1FPR2SCN9A
SCHEMBL4078860 0.73 ACVR1 (0.43) ACVR1FPR2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1731520-A1 Pyrrolo[2,3-d]pyrimidine derivatives which are antagonists of adenosine A1, A2A, and A3 OSI Pharmaceuticals, Inc. (US) 2006-12-13 EP disclosed
US-6664252-B2 (6-aryl-pyrrolo(2,3-d)pyrimidin-4-yl)amine derivatives; treating Parkinson's disease and diseases associated with locomotor activity, vasodilation, platelet inhibition, neutrophil superoxide generation, cognitive disorders, etc. OSI PHARMACEUTICALS, INC. 2003-12-16 US disclosed
US-20030036545-A1 Compounds specific to adenosine A2a receptor and uses thereof OSI PHARMACEUTICALS, INC. 2003-02-20 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 (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-20030036545-A1 Compounds specific to adenosine A2a receptor and uses thereof ADORA2A, ADORA2B, ADORA3 CDC7 3330/4885KIT 3368/4885CCNB2 2349/4885

“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.