SCHEMBL7001441

SCHEMBL7001441

CC(C)(C)n1nc(-c2ccccc2)c2c(CCCN)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.44
ABL1 P00519 5/20 0.44
VCP P55072 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 3/20 0.35
RIPK2 O43353 2/20 0.35
EGFR P00533 2/20 0.35
LCK P06239 2/20 0.35
FYN P06241 2/20 0.35
YES1 P07947 2/20 0.35
LYN P07948 2/20 0.35
PDGFRA P16234 2/20 0.35
PRKACA P17612 2/20 0.35
KDR P35968 2/20 0.35
FRK P42685 2/20 0.35
MAPK9 P45984 2/20 0.35
CSNK1A1 P48729 2/20 0.35
CSNK1D P48730 2/20 0.35
BLK P51451 2/20 0.35
BTK Q06187 2/20 0.35

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
SCHEMBL6997533 0.92 SRC (0.46) SRCABL1VCPSMN1; SMN2HPGD
SCHEMBL7001342 0.80 SRC (0.45) SRCSMN1; SMN2EGFRALDH1A1
SCHEMBL6998124 0.77 SRC (0.55) SRCABL1VCPSMN1; SMN2HPGD
SCHEMBL7000322 0.72 SRC (0.44) SRCABL1VCPSMN1; SMN2PSMC4
SCHEMBL7002224 0.72 SRC (0.44) SRCABL1VCPSMN1; SMN2HPGD
SCHEMBL6997527 0.72 SRC (0.46) SRCABL1VCPSMN1; SMN2HPGD
SCHEMBL7003178 0.72 SRC (0.46) SRCABL1VCPSMN1; SMN2HPGD
SCHEMBL7001439 0.70 SRC (0.44) SRCABL1VCPHPGDRIPK2
SCHEMBL7003995 0.69 SRC (0.43) SRCABL1VCPHPGDRIPK2
SCHEMBL13019677 0.69 KMT2A (0.49) SRCABL1SMN1; SMN2HPGDKDM4E

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 SRC 1/4885ABL1 18/4885VCP 710/4885

“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.