SCHEMBL3530064

SCHEMBL3530064

CCN(CC)Cc1cnc(N)c2c(Br)csc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
PRKCI P41743 2/20 0.33
EPHB4 P54760 1/20 0.33
TSHR P16473 2/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 2/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
APEX1 P27695 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3529706 0.78 LCK (0.43) PRKCIEPHB4PLK4AURKAMAPK13
SCHEMBL3529708 0.78 LCK (0.43) PRKCIEPHB4PLK4AURKAMAPK13
SCHEMBL3531469 0.77 EPHB4 (0.36) EPHB4HTTKMT2ABTK
SCHEMBL3525389 0.72 EPHB4 (0.39) ALDH1A1EPHB4KDM4EHTTMAPK1
SCHEMBL3530161 0.70 KDM4E (0.40) EPHB4KDM4EMAPTTDP1CA2
SCHEMBL3530724 0.70 LCK (0.59) ALDH1A1CYP1A2CYP2D6CYP2C19PRKCI
SCHEMBL3526550 0.68 EPHB4 (0.39) EPHB4HTTKMT2ABTK
SCHEMBL3531482 0.68 EPHB4 (0.36) EPHB4HTTKMT2APLK4AURKA
SCHEMBL3531197 0.68 SMN1; SMN2 (0.44) ALDH1A1KDM4EHTTHSD17B10BTK
SCHEMBL3525703 0.67 KDR (0.32) EPHB4PLK4AURKAROCK2MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273736-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2012-09-25 US disclosed
US-7737160-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES INC. (US) 2010-06-15 US disclosed
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed
EP-1648905-B1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LAB (US) 2008-12-31 EP disclosed
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBVIE INC. 2007-07-05 US disclosed
US-7202363-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2007-04-10 US disclosed
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABBVIE INC. 2005-02-24 US disclosed
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES 2005-02-03 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-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK ALDH1A1 1899/4885CYP1A2 1966/4885CYP2D6 1684/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK ALDH1A1 1899/4885CYP1A2 1966/4885CYP2D6 1684/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK ALDH1A1 1899/4885CYP1A2 1966/4885CYP2D6 1684/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK ALDH1A1 1899/4885CYP1A2 1966/4885CYP2D6 1684/4885

“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.