SCHEMBL6750941

SCHEMBL6750941

CCN(CC)CCn1nc2c3c(c(C)ccc31)Sc1cc(Cl)ccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.47
TOP2B Q02880 2/20 0.47
RAD52 P43351 2/20 0.39
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
DNMT1 P26358 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
UHRF1 Q96T88 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CRHR1 P34998 9/20 0.34
HTR1A P08908 1/20 0.32
DRD3 P35462 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR3A P46098 1/20 0.32
KCNH2 Q12809 1/20 0.32
GHSR Q92847 1/20 0.32

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
SCHEMBL29358201 0.93 TOP2A (0.55) TOP2ATOP2BRAD52POLBNPC1
SCHEMBL11750031 0.92 TOP2A (0.54) TOP2ATOP2BRAD52POLBNPC1
SCHEMBL7489756 0.87 TOP2A (0.54) TOP2ATOP2BRAD52POLBNPC1
SCHEMBL29372928 0.87 TOP2A (0.54) TOP2ATOP2BRAD52POLBNPC1
SCHEMBL11745243 0.87 TOP2A (0.37) TOP2ATOP2BKMT2ACRHR1MTOR
SCHEMBL11749326 0.86 TOP2A (0.49) TOP2ATOP2BRAD52POLBNPC1
SCHEMBL7495129 0.85 TOP2A (0.50) TOP2ATOP2BRAD52POLBNPC1
SCHEMBL11747960 0.81 TOP2A (0.56) TOP2ATOP2BRAD52POLBNPC1
SCHEMBL11747964 0.81 TOP2A (0.58) TOP2ATOP2BRAD52POLBNPC1
SCHEMBL10477218 0.77 TOP2A (0.58) TOP2ATOP2BRAD52POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747039-B2 INHIBITING CELL PROLIFERATION IN MAMMALS ALBANY MOLECULAR RESEARCH, INC. 2004-06-08 US disclosed
US-20030225069-A1 Aza-benzothiopyranoindazoles with antitumor activity BARCLAYS BANK PLC, AS THE COLLATERAL AGENT 2003-12-04 US disclosed
US-20030212061-A1 Aza-thioxanthenones with antitumor activity ALBANY MOLECULAR RESEARCH, INC. 2003-11-13 US disclosed
EP-0812192-B1 BENZOTHIOPYRANOINDAZOLES ANTITUMOR AGENTS SANOFI SYNTHELABO (FR) 2002-11-06 EP disclosed
US-5532263-A Benzothiopyranoindazole antitumor agents STERLING WINTHROP INC. (US) 1996-07-02 US disclosed
US-4026899-A PARASITICIDES PARKE, DAVIS & COMPANY (US) 1977-05-31 US disclosed
US-3963740-A PARASITICIDE PARKE, DAVIS & COMPANY (US) 1976-06-15 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 (2 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-20030225069-A1 Aza-benzothiopyranoindazoles with antitumor activity AZI2, DUT, AADAC TOP2A 36/4885TOP2B 57/4885RAD52 2542/4885
US-20030212061-A1 Aza-thioxanthenones with antitumor activity AZI2, TPMT, MTAP TOP2A 10/4885TOP2B 15/4885RAD52 1631/4885

“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.