SCHEMBL7001996

SCHEMBL7001996

Clc1cccc2c1c(-c1ccccc1)nn2-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 7/20 0.50
CDK2 P24941 7/20 0.50
SRC P12931 2/20 0.49
EGFR P00533 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
CCND1 P24385 1/20 0.44
CDK7 P50613 1/20 0.44
CCNH P51946 1/20 0.44
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTGS2 P35354 4/20 0.42
PTGS1 P23219 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7001959 0.81 SRC (0.56) CCNA2CDK2SRCEGFRNPC1
SCHEMBL7002366 0.78 ESR1 (0.52) GAANPSR1MEN1KMT2A
SCHEMBL7002906 0.76 CCNA2 (0.49) CCNA2CDK2SRCEGFRCDK1
SCHEMBL7001342 0.76 SRC (0.45) CCNA2CDK2SRCEGFRNPC1
SCHEMBL5487133 0.74 PDE5A (0.54) CCNA2CDK2SRCEGFRNPC1
SCHEMBL6999376 0.74 CCNA2 (0.44) CCNA2CDK2SRCEGFRCDK1
SCHEMBL1296214 0.73 TOP2A (0.51)
SCHEMBL11843686 0.72 SIGMAR1 (0.44) CCNA2CDK2SRCEGFR
SCHEMBL7001338 0.72 CCNA2 (0.45) CCNA2CDK2SRCEGFRCDK1
SCHEMBL7002725 0.71 CCNA2 (0.44) CCNA2CDK2SRCEGFRCDK1

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 4 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

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.