SCHEMBL6206701

SCHEMBL6206701

NNc1nc(N)nc(N)c1N=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.48
CCNA2 P20248 6/20 0.48
CCNA1 P78396 6/20 0.48
CDK1 P06493 6/20 0.39
CCNB1 P14635 5/20 0.39
MGMT P16455 3/20 0.39
CDK4 P11802 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CCNB2 O95067 1/20 0.37
MTOR P42345 1/20 0.37
ATR Q13535 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CASP6 P55212 1/20 0.31

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
SCHEMBL12658526 0.82 CDK2 (0.52) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL439475 0.79 CDK2 (0.61) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL11121357 0.73 CDK2 (0.55) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL21158500 0.71 CDK2 (0.53) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL29473573 0.70 CDK2 (0.52) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL4160357 0.70 CDK2 (0.52) CDK2CCNA2CCNA1CDK1CCNB1
Nitrous Acid SCHEMBL29168822 0.67 CDK2 (0.48) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL656566 0.67 CDK2 (0.48) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL6209356 0.65 CDK2 (0.52) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL9443788 0.65 CDK2 (0.47) CDK2CCNA2CCNA1CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467996-B1 PYRIMIDOTRIAZINES AS PHOSPHATASE INHIBITORS HOFFMANN LA ROCHE (CH) 2005-11-30 EP disclosed
EP-1467996-A1 PYRIMIDOTRIAZINES AS PHOSPHATASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-20 EP disclosed
US-6642381-B2 Containing tertiary alkyl amine, pyrollidine, morpholine or piperazine moieties; optionally containing unsubstituted or substituted phenyl or naphthyl groups HOFFMAN-LA ROCHE INC. 2003-11-04 US disclosed
US-20030153756-A1 Pyrimido[5,4-e] [1,2,4]triazine-5, 7-diamine compounds as protein tyrosine phosphatase inhibitors GUERTIN KEVIN RICHARD (US) 2003-08-14 US disclosed
WO-2003055883-A1 PYRIMIDOTRIAZINES AS PHOSPHATASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-07-10 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-20030153756-A1 Pyrimido[5,4-e] [1,2,4]triazine-5, 7-diamine compounds as protein tyrosine phosphatase inhibitors PTPN5, PPP5C, PTPA CDK2 190/4885CCNA2 1005/4885CCNA1 957/4885

“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.