SCHEMBL13883285

SCHEMBL13883285

CC(C)c1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)ccnc3c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.41
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
IGF1R P08069 1/20 0.38
FGFR1 P11362 1/20 0.38
PRKACA P17612 1/20 0.38
FLT1 P17948 1/20 0.38
LTK P29376 1/20 0.38
GRK5 P34947 1/20 0.38
KDR P35968 1/20 0.38
MAP2K2 P36507 1/20 0.38
MAPK8 P45983 1/20 0.38
CSNK1A1 P48729 1/20 0.38

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
SCHEMBL31357488 0.89 METAP2 (0.42) HSP90AA1METAP2RARAKDM4EMAPT
SCHEMBL9333857 0.86 JAK2 (0.41) TOP2AIKBKBCHUKDAPK3JAK2
SCHEMBL5463333 0.81 DHODH (0.44) TOP2AAURKBPIK3CATOP1METAP2
Naphthalene SCHEMBL29241630 0.81 PRKACA (0.49) TOP2AIKBKBCHUKDAPK3JAK2
Bathocuproine SCHEMBL2346807 0.81 TOP2A (0.44) TOP2AIKBKBCHUKDAPK3JAK2
SCHEMBL725339 0.81 TOP2A (0.44) TOP2AIKBKBCHUKDAPK3JAK2
SCHEMBL1226790 0.80 TOP1 (0.53) TOP2AIKBKBCHUKDAPK3JAK2
SCHEMBL20286671 0.79 MAOA (0.42) HSP90AA1METAP2L3MBTL1RARAKDM4E
SCHEMBL28868 0.79 IKBKB (0.53) TOP2AIKBKBCHUKDAPK3JAK2
SCHEMBL28859500 0.79 IKBKB (0.53) TOP2AIKBKBCHUKDAPK3JAK2

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-20220251077-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORP. (TW) 2022-08-11 US disclosed
US-8367714-B2 Cannabinoid receptor targeted agent VANDERBILT UNIVERSITY (US) 2013-02-05 US disclosed
US-8323621-B2 site-directed delivery of contrast agent; brain or breast cancer; 1,4,7,10 tetraazacyclododecane having variable chelating ions, phosphoester chains, and light harvesting moieties for changing imaging methods; conjugated to high affinity PBR ligand PK11195; bound to a PVA or a PEG delivery vehicle VANDERBILT UNIVERSITY (US) 2012-12-04 US disclosed
US-20090105128-A1 CANNABINOID RECEPTOR TARGETED AGENT VANDERABILT UNIVERSITY 2009-04-23 US disclosed
US-20080241873-A1 MULTI-USE MULTIMODAL IMAGING CHELATES BORNHOP DARRYL J 2008-10-02 US disclosed
US-20080241074-A1 MULTI-USE MULTIMODAL IMAGING CHELATES VANDERBILT UNIVERSITY 2008-10-02 US disclosed
US-7338651-B2 Multi-use multimodal imaging chelates TEXAS TECH UNIVERSITY SYSTEM (US) 2008-03-04 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 (4 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-20090105128-A1 CANNABINOID RECEPTOR TARGETED AGENT CNR1, CNR2, NPY1R TOP2A 2624/4885IKBKB 3983/4885CHUK 1940/4885
US-20220251077-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME SLCO4C1, SLCO2A1, SLCO2B1 TOP2A 4331/4885IKBKB 4408/4885CHUK 3859/4885
US-20080241074-A1 MULTI-USE MULTIMODAL IMAGING CHELATES PCNA, CLTC, CLTB TOP2A 270/4885IKBKB 3785/4885CHUK 3650/4885
US-20080241873-A1 MULTI-USE MULTIMODAL IMAGING CHELATES PCNA, CLTC, CLTB TOP2A 270/4885IKBKB 3785/4885CHUK 3650/4885

“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.