SCHEMBL2968656

SCHEMBL2968656

CCCc1ccc2c(Nc3cc(C)ccc3Oc3ccccc3)ccnc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
PTGS1 P23219 2/20 0.35
KDR P35968 1/20 0.35
PTGS2 P35354 1/20 0.35
THRB P10828 1/20 0.35
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
ERBB2 P04626 1/20 0.34
TP53 P04637 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL2968662 0.89 ALK (0.39) MEN1KMT2APOLBPTGS1KDR
SCHEMBL2960952 0.86 ADORA1 (0.46) MEN1KMT2APOLBKDRERBB2
SCHEMBL2960501 0.82 SREBF2 (0.38) MEN1KMT2ATHRBHTR1AADRA1D
SCHEMBL2969360 0.80 POLB (0.47) MEN1KMT2APOLBTHRBTP53
SCHEMBL2970962 0.80 SREBF2 (0.38) MEN1KMT2ATHRBHTR1AADRA1D
SCHEMBL2961431 0.80 PIM1 (0.36) POLBTHRBHTR1AADRA1DADRA1A
SCHEMBL2970343 0.78 NR4A2 (0.39) MEN1KMT2APOLBTHRBSMN1; SMN2
SCHEMBL2970337 0.78 NR4A2 (0.39) MEN1KMT2APOLBTHRBSMN1; SMN2
SCHEMBL2968674 0.76 NR4A2 (0.39) POLBPTGS1KDRPTGS2THRB
SCHEMBL2967382 0.76 NR4A2 (0.38) MEN1KMT2APOLBPTGS1KDR

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 MEN1 4571/4885KMT2A 3566/4885POLB 442/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MEN1 4571/4885KMT2A 3566/4885POLB 442/4885

“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.