SCHEMBL2969814

SCHEMBL2969814

Cc1ccc2c(Nc3cc(Br)ccc3Oc3ccccc3)ccnc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.45
ALK Q9UM73 1/20 0.42
GCK P35557 2/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
GAK O14976 3/20 0.37
KDR P35968 2/20 0.37
ERBB2 P04626 1/20 0.36
ADORA2A P29274 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EGFR P00533 3/20 0.35
EPHB6 O15197 1/20 0.35

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
SCHEMBL2960952 0.89 ADORA1 (0.46) ADORA1GCKLMNATP53GAA
SCHEMBL2968662 0.85 ALK (0.39) ALKGCKLMNAGAKKDR
SCHEMBL2964444 0.78 RIPK2 (0.39) ADORA1LMNATP53GAATSHR
SCHEMBL2971914 0.78 PIM1 (0.45) ADORA1ALKLMNAGAKKDR
SCHEMBL2955700 0.77 IGF1R (0.45) GAAGAKKDRMAPTHPGD
SCHEMBL2968656 0.76 MEN1 (0.36) LMNATP53GAATSHRKDR
SCHEMBL2968548 0.76 IGF1R (0.42) GAATSHRGAKMAPTHPGD
SCHEMBL2968384 0.76 MRGPRX4 (0.49) LMNA
SCHEMBL2969360 0.74 POLB (0.47) LMNATP53GAAMEN1NPC1
SCHEMBL2970983 0.74 NR4A2 (0.42) GAAGAKKDRMAPTHPGD

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 ADORA1 3948/4885ALK 4279/4885GCK 1165/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 ADORA1 3948/4885ALK 4279/4885GCK 1165/4885

“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.