SCHEMBL13286790

SCHEMBL13286790

Cc1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 1/20 0.55
▸ CKS1B P61024 2/20 0.49
▸ SKP2 Q13309 2/20 0.49
▸ TOP2A P11388 2/20 0.48
▸ CCNA2 P20248 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ IKBKB O14920 1/20 0.45
▸ CHUK O15111 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ PRKD3 O94806 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ PAK4 O96013 1/20 0.45
▸ CSF1R P07333 1/20 0.45
▸ RET P07949 1/20 0.45
▸ IGF1R P08069 1/20 0.45
▸ FGFR1 P11362 1/20 0.45
▸ PRKACA P17612 1/20 0.45
▸ FLT1 P17948 1/20 0.45
▸ LTK P29376 1/20 0.45

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
SCHEMBL14552117 0.93 COMT (0.57) COMTCKS1BSKP2TOP2ACCNA2
SCHEMBL10032425 0.91 IKBKB (0.52) COMTCKS1BSKP2TOP2AIKBKB
SCHEMBL3289250 0.89 PIK3CA (0.53) COMTCKS1BSKP2TOP2AIKBKB
SCHEMBL28859500 0.89 IKBKB (0.53) COMTCKS1BSKP2TOP2AIKBKB
Benzene SCHEMBL28095234 0.89 IKBKB (0.53) COMTCKS1BSKP2TOP2AIKBKB
SCHEMBL28868 0.89 IKBKB (0.53) COMTCKS1BSKP2TOP2AIKBKB
SCHEMBL5467861 0.88 KDM4E (0.50) COMTCKS1BSKP2TOP2AMEN1
SCHEMBL4295175 0.87 IKBKB (0.52) COMTCKS1BSKP2TOP2AIKBKB
Hydrochloric Acid SCHEMBL17868371 0.87 IKBKB (0.52) COMTCKS1BSKP2TOP2AIKBKB
Hydrochloric Acid SCHEMBL3328059 0.87 IKBKB (0.52) COMTCKS1BSKP2TOP2AIKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160146826-A1 Electronically Neutral Metal Complexes As Biological Labels HUNAN SANSURE ACCUCISE BIOTECHNOLOGY CO., LTD. (CN) 2016-05-26 — — US disclosed
US-9290528-B1 Light-activated compounds UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2016-03-22 — — US disclosed
US-20100144046-A1 CYCLOMETALATED TRANSITION METAL COMPLEXES FOR MULTIPLEX ANALYTE DETECTION BIO-RAD LABORATORIES, INC. (US) 2010-06-10 — — 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-20100144046-A1 CYCLOMETALATED TRANSITION METAL COMPLEXES FOR MULTIPLEX ANALYTE DETECTION CAD, NCLN, CCL5 COMT 1939/4885CKS1B 2132/4885SKP2 3303/4885
US-20160146826-A1 Electronically Neutral Metal Complexes As Biological Labels MB, MCU, LETM1 COMT 1964/4885CKS1B 3616/4885SKP2 4329/4885

“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.

Send feedback