SCHEMBL12376476

SCHEMBL12376476

C1=Cc2ccc(-c3ccccc3)nc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 1/20 0.43
ASIC3 Q9UHC3 1/20 0.37
ADORA2A P29274 3/20 0.35
AURKA O14965 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PRKACA P17612 1/20 0.35
ALDH1A1 P00352 3/20 0.35
ADORA1 P30542 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAP2K3 P46734 1/20 0.34
PDE4B Q07343 1/20 0.32
PARP1 P09874 1/20 0.32
MAPT P10636 2/20 0.32
AGTR1 P30556 1/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL16369390 0.76 MEN1 (0.45) MEN1KMT2ARAB9AASIC3ADORA2A
SCHEMBL7096298 0.70 MEN1 (0.43) MEN1KMT2ARAB9AASIC3ADORA2A
SCHEMBL5038754 0.70 RAB9A (0.36) MEN1KMT2ARAB9AASIC3ADORA2A
SCHEMBL11645134 0.68 RAB9A (0.41) MEN1KMT2ARAB9AASIC3ADORA2A
SCHEMBL23555749 0.66 SMN1; SMN2 (0.37) MEN1KMT2ARAB9AALDH1A1HPGD
SCHEMBL23555745 0.65 ENPP3 (0.37) MEN1KMT2ARAB9AALDH1A1HPGD
SCHEMBL23436104 0.64 POLB (0.33) KMT2A
SCHEMBL3310894 0.64 MEN1 (0.45) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL5179394 0.64 ALDH1A1 (0.46) MEN1KMT2ARAB9AALDH1A1HPGD
SCHEMBL3222113 0.63 RAB9A (0.43) MEN1KMT2ARAB9AASIC3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170135992-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY NANT HOLDINGS IP, LLC 2017-05-18 US disclosed
US-9499539-B2 Cyclic sulfonamide containing derivatives as inhibitors of hedgehog signaling pathway NANTBIOSCIENCE, INC. (US) 2016-11-22 US disclosed
US-20150299190-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY NANT HOLDINGS IP, LLC 2015-10-22 US disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 US disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 US disclosed
US-20110196104-A1 Norbornene-based copolymers with iridium complexes and exiton transport groups in their side-chains and use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2011-08-11 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 (3 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-20150299190-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY SMO, SHH, SOS1 MEN1 2551/4885KMT2A 2126/4885RAB9A 2032/4885
US-20170135992-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY SMO, SHH, SOS1 MEN1 2551/4885KMT2A 2126/4885RAB9A 2032/4885
US-20130102776-A1 ANTICANCER AGENT PIM1, PIM3, PIM2 MEN1 2639/4885KMT2A 576/4885RAB9A 1993/4885

“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.