SCHEMBL3418434

SCHEMBL3418434

COc1nc(N)nc2n[nH]c(I)c12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 5/20 0.36
▸ CDK2 P24941 5/20 0.36
▸ CCNA1 P78396 5/20 0.36
▸ ACHE P22303 4/20 0.33
▸ MPO P05164 2/20 0.32
▸ CDK1 P06493 4/20 0.31
▸ CCNB1 P14635 4/20 0.31
▸ MGMT P16455 4/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ MKNK1 Q9BUB5 1/20 0.30
▸ MKNK2 Q9HBH9 1/20 0.30

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
SCHEMBL3424170 0.75 ABL1 (0.41) CDK2
SCHEMBL3418435 0.74 CCNA2 (0.35) CCNA2CDK2CCNA1
SCHEMBL18084073 0.69 CCNA2 (0.47) CCNA2CDK2CCNA1PIK3CAALDH1A1
SCHEMBL2908497 0.66 PIK3CA (0.37) CCNA2CDK2CCNA1MPOCDK1
SCHEMBL16828162 0.64 CCNA2 (0.50) CCNA2CDK2CCNA1PIK3CAALDH1A1
SCHEMBL4104572 0.63 CCNA2 (0.41) CCNA2CDK2CCNA1PIK3CAKDM4E
SCHEMBL5484380 0.63 PNP (0.44) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL10617813 0.62 CCNA2 (0.48) CCNA2CDK2CCNA1PIK3CAKDM4E
Hydrochloric Acid SCHEMBL16828222 0.62 CCNA2 (0.48) CCNA2CDK2CCNA1PIK3CAALDH1A1
SCHEMBL30721418 0.62 CCNA2 (0.48) CCNA2CDK2CCNA1PIK3CAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7751982-B2 TM leveling methods ELITECH HOLDING B.V. (NL) 2010-07-06 — — US disclosed
EP-1995330-A1 Modified oligonucleotides for mismatch discrimination Epoch Biosciences, Inc. (US) 2008-11-26 — — EP disclosed
EP-1427743-A4 PROCESS FOR THE SYNTHESIS OF PYRAZOLOPYRIMIDINES EPOCH BIOSCIENCES INC (US) 2007-04-04 — — EP disclosed
US-20070060744-A1 Process for the synthesis of pyrazolopyrimidines EPOCH BIOSCIENCES, INC. (US) 2007-03-15 — — US disclosed
US-20060014943-A1 Process for the synthesis of pyrazolopyrimidines EPOCH BIOSCIENCES, INC. (US) 2006-01-19 — — US disclosed
US-6962991-B2 Process for the synthesis of pyrazolopyrimidines EPOCH BIOSCIENCES, INC. (US) 2005-11-08 — — US disclosed
US-20050075491-A1 TM leveling methods EPOCH BIOSCIENCES, INC. (US) 2005-04-07 — — US disclosed
US-20040191824-A1 Process for the synthesis of pyrazolopyrimidines EPOCH BIOSCIENCES, INC. 2004-09-30 — — US disclosed
EP-1427743-A2 PROCESS FOR THE SYNTHESIS OF PYRAZOLOPYRIMIDINES Epoch Biosciences, Inc. (US) 2004-06-16 — — EP disclosed
US-20030078413-A1 Process for the synthesis of pyrazolopyrimidines EPOCH BIOSCIENCES, INC. 2003-04-24 — — US disclosed
WO-2003022859-A2 PROCESS FOR THE SYNTHESIS OF PYRAZOLOPYRIMIDINES EPOCH BIOSCIENCES, INC. (US) 2003-03-20 — — 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 (4 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-20030078413-A1 Process for the synthesis of pyrazolopyrimidines DPYD, PNP, UMPS CCNA2 2019/4885CDK2 553/4885CCNA1 2383/4885
US-20050075491-A1 TM leveling methods RNGTT, TYMS, NT5C3B CCNA2 4870/4885CDK2 4077/4885CCNA1 4881/4885
US-20060014943-A1 Process for the synthesis of pyrazolopyrimidines DPYD, PNP, UMPS CCNA2 2019/4885CDK2 553/4885CCNA1 2383/4885
US-20070060744-A1 Process for the synthesis of pyrazolopyrimidines DPYD, PNP, UMPS CCNA2 2019/4885CDK2 553/4885CCNA1 2383/4885

“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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