SCHEMBL7003901

SCHEMBL7003901

CC(C)(C)n1nc(-c2ccccc2)c2c(NCc3ccco3)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 2/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.43
EED O75530 5/20 0.43
PKM P14618 1/20 0.43
PKLR P30613 1/20 0.43
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 2/20 0.41
F2 P00734 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TRPC4 Q9UBN4 1/20 0.41
TRPC5 Q9UL62 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MERTK Q12866 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL7000322 0.84 SRC (0.44) SMN1; SMN2MAPTHSD17B10TSHRF2
SCHEMBL6997527 0.81 SRC (0.46) SMN1; SMN2USP2HPGDHSD17B10HTT
SCHEMBL7001439 0.79 SRC (0.44) HPGDKMT2AHTTLMNAALDH1A1
SCHEMBL5134478 0.79 VCP (0.57) SMN1; SMN2MAPK1HPGDEEDPKM
SCHEMBL7003995 0.78 SRC (0.43) HPGDHTTLMNAALDH1A1FYN
SCHEMBL7003043 0.75 SRC (0.40) KMT2AMERTKMEN1ABL1SRC
SCHEMBL6997961 0.72 VCP (0.48) SMN1; SMN2HPGDMAPTTSHRNPSR1
SCHEMBL7003897 0.72 SRC (0.42) SMN1; SMN2HPGDKMT2ANPSR1HTT
SCHEMBL7005671 0.72 VCP (0.51) SMN1; SMN2HPGDHSD17B10HTTLMNA
SCHEMBL7001373 0.71 VCP (0.47) SMN1; SMN2HPGDMAPTHSD17B10TSHR

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 SMN1; SMN2 4306/4885MAPK1 987/4885USP2 1834/4885

“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.