SCHEMBL6995465

SCHEMBL6995465

CCC(C)CNc1cccc2c1c(-c1ccccc1)nn2-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 7/20 0.41
CDK2 P24941 7/20 0.41
SRC P12931 2/20 0.41
EGFR P00533 1/20 0.41
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CDK7 P50613 1/20 0.37
CCNH P51946 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.35
NR3C1 P04150 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL7003939 0.87 MAPK13 (0.40) ALDH1A1MAPTMEN1KMT2A
SCHEMBL6998205 0.83 CCNA2 (0.43) CCNA2CDK2SRCEGFRCDK1
SCHEMBL7001338 0.83 CCNA2 (0.45) CCNA2CDK2SRCEGFRCDK1
SCHEMBL7002725 0.82 CCNA2 (0.44) CCNA2CDK2SRCEGFRCDK1
SCHEMBL7001979 0.78 CCNA2 (0.42) CCNA2CDK2SRCEGFRCDK1
SCHEMBL7003413 0.78 CCNA2 (0.42) CCNA2CDK2SRCEGFRCDK1
SCHEMBL7002906 0.75 CCNA2 (0.49) CCNA2CDK2SRCEGFRCDK1
SCHEMBL7003995 0.71 SRC (0.43) SRCEGFRALDH1A1
SCHEMBL6999376 0.70 CCNA2 (0.44) CCNA2CDK2SRCEGFRCDK1
SCHEMBL7001675 0.70 L3MBTL1 (0.46) CCNA2CDK2SRCEGFRMAPT

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
EP-1140938-B1 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF UNIV PRINCETON (US) 2003-08-27 EP disclosed
EP-1321467-A2 High affinity inhibitors for target validation and uses thereof Princeton University (US) 2003-06-25 EP disclosed
US-20030073218-A1 High affinity inhibitors for target validation and uses thereof PRINCETON UNIVERSITY 2003-04-17 US disclosed
US-6383790-B1 PYRAZOLO(3,4-D)PYRIMIDINE BASED COMPOUND; ANTICARCINOGENIC AGENTS; ANTITUMOR AGENTS PRINCETON UNIVERSITY 2002-05-07 US disclosed
EP-1140938-A2 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF Princeton University (US) 2001-10-10 EP disclosed
WO-2000042042-A2 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF PRINCETON UNIVERSITY (US) 2000-07-20 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 (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-20030073218-A1 High affinity inhibitors for target validation and uses thereof SRC, MARCKS, TEC CCNA2 3288/4885CDK2 568/4885SRC 1/4885

“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.