SCHEMBL6468321

SCHEMBL6468321

CC(=O)Nc1ccc2nccc(Cl)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.54
ALDH1A1 P00352 2/20 0.50
PAX8 Q06710 1/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
PABPC1 P11940 1/20 0.49
RORC P51449 2/20 0.48
GLA P06280 1/20 0.47
TNNI3 P19429 1/20 0.47
TNNT2 P45379 1/20 0.47
TNNC1 P63316 1/20 0.47
RUNX1 Q01196 1/20 0.47
CBFB Q13951 1/20 0.47
ERBB2 P04626 1/20 0.47
LCK P06239 1/20 0.47
DDR2 Q16832 1/20 0.46

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
SCHEMBL16112369 0.88 PAX8 (0.55) EGFRALDH1A1PAX8KDM4EMAPT
SCHEMBL23999925 0.81 MAP4K4 (0.52) EGFRALDH1A1KDM4ENPC1RAB9A
SCHEMBL16248015 0.80 MEN1 (0.55) EGFRMEN1KMT2AJAK2JAK1
SCHEMBL15043774 0.80 SLC2A1 (0.53) ALDH1A1KDM4EMAPTMEN1NPC1
SCHEMBL23999904 0.79 EGFR (0.47) EGFRALDH1A1KDM4EMAPTMEN1
SCHEMBL15520293 0.79 EGFR (0.60) EGFRALDH1A1KDM4EMAPTMEN1
SCHEMBL22492333 0.78 SMN1; SMN2 (0.55) EGFRALDH1A1KDM4EMAPTMEN1
SCHEMBL5989580 0.78 KMT2A (0.56) EGFRALDH1A1KDM4EMAPTMEN1
SCHEMBL27974973 0.77 TDP1 (0.57) EGFRALDH1A1KDM4EMAPTMEN1
SCHEMBL10436636 0.77 HTR2C (0.49) EGFRALDH1A1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2998296-B1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai hengrui pharmaceutical co ltd (CN) 2018-03-14 EP disclosed
EP-2998296-B1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai hengrui pharmaceutical co ltd (CN) 2018-03-14 EP disclosed
US-9637484-B2 Cycloalkyl acid derivative, preparation method thereof, and pharmaceutical application thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-05-02 US disclosed
US-9637484-B2 Cycloalkyl acid derivative, preparation method thereof, and pharmaceutical application thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-05-02 US disclosed
US-20160108035-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co., Lt.d (CN) 2016-04-21 US disclosed
US-20160108035-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co., Lt.d (CN) 2016-04-21 US disclosed
EP-2998296-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2016-03-23 EP disclosed
EP-2998296-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2016-03-23 EP disclosed
WO-2014183555-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF 上海恒瑞医药有限公司 (CN) 2014-11-20 WO disclosed
US-6977259-B2 Quinoline derivatives and their use as aurora 2 kinase inhibitors ASTRAZENECA AB (SE) 2005-12-20 US disclosed
US-20030105129-A1 Chemical compounds ASTRAZENECA AB (SE) 2003-06-05 US disclosed
EP-1294709-A2 QUINOLINE DERIVATIVES AND THEIR USE AS AURORA 2 KINASE INHIBITORS AstraZeneca AB (SE) 2003-03-26 EP disclosed
WO-2001055116-A2 QUINOLINE DERIVATIVES AND THEIR USE AS AURORA 2 KINASE INHIBITORS ASTRAZENECA AB (SE) 2001-08-02 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 (2 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-20160108035-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF UGP2, MPST, KYAT1 EGFR 1482/4885ALDH1A1 182/4885PAX8 3691/4885
US-20030105129-A1 Chemical compounds AURKC, AURKA, AURKB EGFR 83/4885ALDH1A1 2111/4885PAX8 4590/4885

“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.