SCHEMBL1543563

SCHEMBL1543563

CC(=O)Nc1ccc2cc(Br)ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
DYRK1A Q13627 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SORT1 Q99523 2/20 0.49
KDM4E B2RXH2 4/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GLA P06280 1/20 0.46
TNNI3 P19429 1/20 0.46
TNNT2 P45379 1/20 0.46
TNNC1 P63316 1/20 0.46
RUNX1 Q01196 1/20 0.46
CBFB Q13951 1/20 0.46
BACE1 P56817 1/20 0.46
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL18317020 0.89 DYRK1A (0.54) RAB9ANPC1DYRK1ACYP1A2CYP3A4
SCHEMBL20047089 0.83 SORT1 (0.46) RAB9ANPC1DYRK1ACYP1A2CYP3A4
SCHEMBL15450991 0.82 DYRK1A (0.51) RAB9ANPC1DYRK1ACYP1A2KDM4E
SCHEMBL28402308 0.81 DYRK1A (0.56) RAB9ANPC1DYRK1AKDM4EMAPT
SCHEMBL28405112 0.81 DYRK1A (0.52) RAB9ANPC1DYRK1AKDM4EMAPT
SCHEMBL16930401 0.80 NPC1 (0.43) RAB9ANPC1DYRK1ACYP1A2CYP3A4
SCHEMBL12567166 0.80 SORT1 (0.43) RAB9ANPC1DYRK1ASORT1BACE1
SCHEMBL31188316 0.79 KDM4E (0.47) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL1544058 0.79 BACE1 (0.55) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL28338629 0.79 NPC1 (0.68) RAB9ANPC1SORT1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339177-B2 Heteroaryl compounds as inhibitors of necrosis, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2022-05-24 US disclosed
EP-3642193-B1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS AND RELATED COMPOSITION ZHANG XIAOHU (CN) 2022-04-27 EP disclosed
EP-3642193-B1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS AND RELATED COMPOSITION ZHANG XIAOHU (CN) 2022-04-27 EP disclosed
US-20210155635-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE (HK) LIMITED (HK) 2021-05-27 US disclosed
CN-108409652-B Preparation method of ultrasonic-assisted N- (quinoline-2-yl) alkylamide 中南大学 2020-05-05 CN disclosed
EP-3642193-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME Zhang, Xiaohu (CN) 2020-04-29 EP disclosed
WO-2018237370-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE INC. (KY) 2018-12-27 WO disclosed
EP-2307400-B1 INHIBITORS OF PI3 KINASE AMGEN INC (US) 2014-04-23 EP disclosed
EP-2307400-B1 INHIBITORS OF PI3 KINASE AMGEN INC (US) 2014-04-23 EP disclosed
US-8415376-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2013-04-09 US disclosed
US-8415376-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2013-04-09 US disclosed
US-8415376-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2013-04-09 US disclosed
US-20110092504-A1 INHIBITORS OF PI3 KINASE AMGEN INC. 2011-04-21 US disclosed
US-20110092504-A1 INHIBITORS OF PI3 KINASE AMGEN INC. 2011-04-21 US disclosed
US-20110092504-A1 INHIBITORS OF PI3 KINASE AMGEN INC. 2011-04-21 US disclosed
EP-2307400-A2 INHIBITORS OF PI3 KINASE Amgen, Inc (US) 2011-04-13 EP disclosed
WO-2009155121-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-12-23 WO disclosed
WO-2009155121-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-12-23 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 (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-11339177-B2 Heteroaryl compounds as inhibitors of necrosis, composition and method using the same BAX, LITAF, PNLIP RAB9A 2020/4885NPC1 166/4885DYRK1A 4411/4885
US-20210155635-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME BAX, LITAF, PNLIP RAB9A 2020/4885NPC1 166/4885DYRK1A 4411/4885
US-20110092504-A1 INHIBITORS OF PI3 KINASE PIK3CA, PIK3R1, PIK3R5 RAB9A 555/4885NPC1 928/4885DYRK1A 769/4885

“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.