SCHEMBL1783377

SCHEMBL1783377

CNC(=O)Nc1nc2ccc(Br)cc2s1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.74
DYRK1A Q13627 3/20 0.74
NPC1 O15118 2/20 0.74
CYP2C19 P33261 2/20 0.74
CYP1A2 P05177 1/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2C9 P11712 1/20 0.74
LCK P06239 1/20 0.58
ALDH1A1 P00352 2/20 0.56
CLK1 P49759 2/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP2D6 P10635 1/20 0.55
CYP2B6 P20813 1/20 0.55
CSNK1D P48730 1/20 0.55
MAPT P10636 2/20 0.54
HTT P42858 1/20 0.54
LMNA P02545 1/20 0.53

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
SCHEMBL715950 0.85 DYRK1A (1.00) RAB9ADYRK1ANPC1CYP2C19CYP1A2
SCHEMBL1303393 0.85 RAB9A (0.69) RAB9ADYRK1ANPC1CYP2C19CYP1A2
SCHEMBL5019481 0.84 DYRK1A (0.74) RAB9ADYRK1ANPC1LCKALDH1A1
SCHEMBL3708649 0.84 RAB9A (0.76) RAB9ADYRK1ANPC1CYP2C19CYP1A2
SCHEMBL15582913 0.83 LCK (0.58) RAB9ADYRK1ANPC1CYP2C19CYP1A2
SCHEMBL18824277 0.82 DYRK1A (0.74) RAB9ADYRK1ANPC1CYP2C19CYP1A2
SCHEMBL22208373 0.82 RAB9A (0.72) RAB9ADYRK1ANPC1CYP2C19CYP1A2
SCHEMBL1302829 0.81 RAB9A (0.64) RAB9ADYRK1ANPC1CYP2C19CYP1A2
SCHEMBL240597 0.81 SMN1; SMN2 (0.72) RAB9ADYRK1ANPC1CYP2C19CYP1A2
SCHEMBL179517 0.81 MAP3K5 (0.60) RAB9ADYRK1ANPC1CYP2C19CYP1A2

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421226-B2 Heteroaryl compounds as necrosis inhibitors, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2025-09-23 US disclosed
US-20220112188-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE (HK) LIMITED (HK) 2022-04-14 US disclosed
EP-3908277-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME Zhang, Xiaohu (CN) 2021-11-17 EP disclosed
WO-2020146858-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE INC. (KY) 2020-07-16 WO disclosed
WO-2020146858-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE INC. (KY) 2020-07-16 WO disclosed
EP-3009436-B1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC (US) 2019-06-05 EP disclosed
US-9828378-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-11-28 US disclosed
US-9828378-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-11-28 US disclosed
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS INTELLIKINE LLC 2017-07-27 US disclosed
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS INTELLIKINE LLC 2017-07-27 US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 US disclosed
WO-2012151562-A1 COMBINATION PHARMACEUTICAL COMPOSITIONS AND USES THEREOF INTELLIKINE, LLC (US) 2012-11-08 WO disclosed
US-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-07-14 US disclosed
US-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-07-14 US disclosed
US-20110124641-A1 BENZOTHIAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-05-26 US disclosed
US-20110124641-A1 BENZOTHIAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-05-26 US disclosed
US-20110124641-A1 BENZOTHIAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-05-26 US disclosed
WO-2010006086-A2 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE, INC. (US) 2010-01-14 WO disclosed
WO-2009114874-A2 BENZOTHIAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE, INC. (US) 2009-09-17 WO disclosed
WO-2009114874-A2 BENZOTHIAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE, INC. (US) 2009-09-17 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 (6 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-12421226-B2 Heteroaryl compounds as necrosis inhibitors, composition and method using the same TNF, LITAF, PNLIP RAB9A 2203/4885DYRK1A 4546/4885NPC1 122/4885
US-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE PIK3CA, MTOR, PDPK1 RAB9A 1494/4885DYRK1A 745/4885NPC1 1373/4885
US-20220112188-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME TNF, LITAF, PNLIP RAB9A 2203/4885DYRK1A 4546/4885NPC1 122/4885
US-20110124641-A1 BENZOTHIAZOLE KINASE INHIBITORS AND METHODS OF USE MTOR, PDPK1, PIKFYVE RAB9A 2991/4885DYRK1A 623/4885NPC1 1321/4885
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS MPL, MTX2, SLC10A1 RAB9A 3154/4885DYRK1A 3965/4885NPC1 97/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 RAB9A 981/4885DYRK1A 1072/4885NPC1 759/4885

“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.