SCHEMBL2968446

SCHEMBL2968446

CCCc1ccc2c(Nc3cccc(OCc4ccccc4)c3)ccnc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK6 Q13882 3/20 0.54
CTSV O60911 2/20 0.47
CTSL P07711 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
SYK P43405 1/20 0.46
DYRK1B Q9Y463 2/20 0.42
DYRK1A Q13627 1/20 0.42
ERBB2 P04626 1/20 0.42
MAPK1 P28482 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL2962127 0.78 PIM1 (0.50) PTK6ERBB2KDM4EMEN1ALDH1A1
SCHEMBL2967892 0.78 MAOB (0.37) PTK6KDM4ELMNATP53MAPT
SCHEMBL2964061 0.78 PTK6 (0.47) PTK6CTSVCTSLSIRT2SYK
SCHEMBL15923162 0.77 PTK6 (0.67) PTK6CTSVCTSLSIRT2SYK
SCHEMBL31197402 0.77 PTK6 (0.67) PTK6CTSVCTSLSIRT2SYK
Hydrochloric Acid SCHEMBL8808426 0.76 PTK6 (0.65) PTK6CTSVCTSLSIRT2SYK
SCHEMBL19633550 0.76 PTK6 (0.57) PTK6CTSVCTSLSIRT2DYRK1B
SCHEMBL2962785 0.74 PIM1 (0.45) SIRT2ERBB2LMNACYP1A2CYP2C19
SCHEMBL2968656 0.73 MEN1 (0.36) ERBB2TSHRKDM4EMEN1LMNA
SCHEMBL4707575 0.73 MEN1 (0.38) MEN1NPC1LMNAMAPTKMT2A

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-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 (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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PTK6 3229/4885CTSV 90/4885CTSL 1268/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PTK6 3229/4885CTSV 90/4885CTSL 1268/4885

“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.