SCHEMBL2990823

SCHEMBL2990823

CCCCOc1cc(OCCCC)nc(N)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.46
CCNB1 P14635 3/20 0.46
CCNA2 P20248 2/20 0.46
CDK2 P24941 2/20 0.46
CCNA1 P78396 2/20 0.46
PIN1 Q13526 1/20 0.46
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 3/20 0.45
MAPK1 P28482 1/20 0.45
NUDT1 P36639 2/20 0.44
TLR8 Q9NR97 2/20 0.44
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL10398846 0.90 CDK1 (0.43) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL2987423 0.89 ALDH1A1 (0.46) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL10620415 0.84 ALDH1A1 (0.41) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL4564977 0.83 NUDT1 (0.58) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL31403787 0.82 ALDH1A1 (0.45) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL4264141 0.81 MEN1 (0.43) RAB9AALDH1A1NPC1TLR8POLB
SCHEMBL9340530 0.81 CDK1 (0.43) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL1576650 0.80 NPC1 (0.62) RAB9AALDH1A1NPC1MAPK1NUDT1
SCHEMBL7638429 0.79 TLR8 (0.56) ALDH1A1NUDT1TLR8POLBLMNA
SCHEMBL27849505 0.79 GLA (0.42) RAB9AALDH1A1NPC1TLR8POLB

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
CN-102285925-A Synthesis method of 2-chloro-4,6-dibutoxypyrimidine 2011-12-21 CN disclosed
US-7781582-B2 Process for the preparation of 2-amino-[1,2,4]triazolo[1,5-a]pyrimidines DOW AGROSCIENCES LLC (US) 2010-08-24 US disclosed
EP-1699794-B1 PROCESS FOR THE PREPARATION OF TRIAZOLOPYRIMIDINES DOW AGROSCIENCES LLC (US) 2008-01-02 EP disclosed
US-20070238873-A1 Process for the Preparation of Triazolopyrimidines CORTEVA AGRISCIENCE LLC 2007-10-11 US disclosed
EP-1699794-A1 PROCESS FOR THE PREPARATION OF TRIAZOLOPYRIMIDINES Dow AgroSciences LLC (US) 2006-09-13 EP disclosed
WO-2005063753-A1 PROCESS FOR THE PREPARATION OF TRIAZOLOPYRIMIDINES DOW AGROSCIENCES LLC (US) 2005-07-14 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 (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-20070238873-A1 Process for the Preparation of Triazolopyrimidines NUDT1, ABL1, DPYD CDK1 447/4885CCNB1 337/4885CCNA2 1000/4885

“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.