SCHEMBL4733656

SCHEMBL4733656

Nc1cc(-c2ccccc2)c(Br)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.51
SRC P12931 1/20 0.51
ASIC3 Q9UHC3 1/20 0.44
PDPK1 O15530 1/20 0.44
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
MAP4K4 O95819 3/20 0.40
TDO2 P48775 2/20 0.40
USP7 Q93009 1/20 0.40
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
LMNA P02545 1/20 0.40
MASP2 O00187 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL19781098 0.80 MAPK1 (0.46) FGFR1ASIC3ALDH1A1MAPK1MAP4K4
SCHEMBL17780848 0.80 MAPK1 (0.46) FGFR1SRCALDH1A1MAPK1MAP4K4
SCHEMBL30415726 0.80 MAPK1 (0.46) FGFR1SRCALDH1A1MAPK1MAP4K4
SCHEMBL21223874 0.78 FGFR1 (0.49) FGFR1SRCASIC3PDPK1ALOX5AP
SCHEMBL9930223 0.77 FGFR1 (0.51) FGFR1SRCASIC3PDPK1ALOX5AP
SCHEMBL19815810 0.77 ALDH1A1 (0.43) FGFR1SRCALDH1A1MAPK1MAP4K4
SCHEMBL18537361 0.77 CYP1A2 (0.44) FGFR1ALDH1A1MAPK1MAP4K4KDM4E
SCHEMBL17873069 0.77 TDO2 (0.47) PDPK1ALDH1A1MAPK1TDO2LMNA
SCHEMBL17872367 0.77 FEN1 (0.47) PDPK1ALOX5APFEN1ALDH1A1MAP4K4
SCHEMBL17872755 0.75 CYP2A6 (0.50) TDO2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070708-A1 Pharmaceutically Active Compounds BERGENBIO ASA (NO) 2021-03-11 US disclosed
US-10766861-B2 Pharmaceutically active compounds BERGENBIO ASA (NO) 2020-09-08 US disclosed
CN-107207472-B Inhibitors of AKT kinase 卑尔根生物股份公司 2020-08-14 CN disclosed
US-10336702-B2 Pharmaceutically active compounds BERGENBIO ASA (NO) 2019-07-02 US disclosed
US-20180029985-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS BERGENBIO AS (NO) 2018-02-01 US disclosed
EP-3240784-A2 INHIBITORS OF AKT KINASE BerGenBio ASA (NO) 2017-11-08 EP disclosed
WO-2016102672-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS BERGENBIO AS (NO) 2016-06-30 WO disclosed
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO disclosed
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 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 (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-10336702-B2 Pharmaceutically active compounds UGT2B7, CYP3A5, UGT1A1 FGFR1 1822/4885SRC 3113/4885ASIC3 3838/4885
US-20210070708-A1 Pharmaceutically Active Compounds UGT2B7, CYP3A5, UGT1A1 FGFR1 1624/4885SRC 3310/4885ASIC3 3876/4885
US-10766861-B2 Pharmaceutically active compounds UGT2B7, CYP3A5, UGT1A1 FGFR1 1624/4885SRC 3310/4885ASIC3 3876/4885
US-20180029985-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS UGT2B7, CYP3A5, UGT1A1 FGFR1 1822/4885SRC 3113/4885ASIC3 3838/4885

“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.