SCHEMBL681857

SCHEMBL681857

CC(O)c1cc2ccccc2nc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.57
TOP2A P11388 3/20 0.57
TOP2B Q02880 3/20 0.57
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 6/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ACHE P22303 1/20 0.43
KDM4E B2RXH2 7/20 0.42
GAA P10253 1/20 0.42
STAT3 P40763 1/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TLR8 Q9NR97 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 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
SCHEMBL831159 0.85 EGFR (0.53) EGFRTOP2ATOP2BKMT2AALDH1A1
SCHEMBL27781219 0.84 EGFR (0.51) EGFRTOP2ATOP2BKMT2AALDH1A1
SCHEMBL22198990 0.82 EGFR (0.50) EGFRTOP2ATOP2BKMT2AALDH1A1
SCHEMBL682003 0.82 EGFR (0.50) EGFRTOP2ATOP2BKMT2AALDH1A1
SCHEMBL22237929 0.79 KMT2A (0.53) EGFRTOP2ATOP2BKMT2AALDH1A1
SCHEMBL4173966 0.78 EGFR (0.38) EGFRTOP2ATOP2BKMT2AALDH1A1
SCHEMBL10251289 0.78 EGFR (0.38) EGFRTOP2ATOP2BKMT2AALDH1A1
SCHEMBL4174833 0.78 PDE3B (0.40) EGFRTOP2ATOP2BKMT2AMAPT
SCHEMBL2178320 0.78 EGFR (0.53) EGFRTOP2ATOP2BKMT2AALDH1A1
SCHEMBL12435442 0.77 KMT2A (0.50) EGFRTOP2ATOP2BKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3719010-B1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2023-07-26 EP disclosed
EP-3719010-B1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2023-07-26 EP disclosed
US-11332457-B2 Aromatic compound, pharmaceutical composition and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2022-05-17 US disclosed
US-11332457-B2 Aromatic compound, pharmaceutical composition and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2022-05-17 US disclosed
US-11261170-B2 Aromatic compound, pharmaceutical composition and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2022-03-01 US disclosed
CN-111148742-B Aromatic compound and pharmaceutical composition and application thereof 四川科伦博泰生物医药股份有限公司 2021-11-16 CN disclosed
EP-3719010-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-10-07 EP disclosed
EP-3719010-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-10-07 EP disclosed
US-20200277277-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-09-03 US disclosed
US-20200277277-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-09-03 US disclosed
US-9790228-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2017-10-17 US disclosed
US-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC 2016-06-16 US disclosed
US-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC 2016-06-16 US disclosed
US-9296742-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2016-03-29 US disclosed
US-9296742-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2016-03-29 US disclosed
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 US disclosed
WO-2010036380-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2010-04-01 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-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 EGFR 526/4885TOP2A 1796/4885TOP2B 1766/4885
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 EGFR 526/4885TOP2A 1796/4885TOP2B 1766/4885
US-11332457-B2 Aromatic compound, pharmaceutical composition and use thereof PPARD, PPARA, PPARG EGFR 870/4885TOP2A 4714/4885TOP2B 4556/4885
US-20200277277-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF PPARD, PPARA, PPARG EGFR 870/4885TOP2A 4714/4885TOP2B 4556/4885
US-11261170-B2 Aromatic compound, pharmaceutical composition and use thereof PPARD, PPARA, PPARG EGFR 870/4885TOP2A 4714/4885TOP2B 4556/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 EGFR 526/4885TOP2A 1796/4885TOP2B 1766/4885

“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.