SCHEMBL413085

SCHEMBL413085

COc1cc(C=O)ccc1OCc1ccc(Cl)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.78
ALDH1A1 P00352 10/20 0.72
MAPT P10636 7/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
SMN1; SMN2 Q16637 4/20 0.70
NPC1 O15118 3/20 0.70
RAB9A P51151 3/20 0.70
NFKB1 P19838 1/20 0.70
NFKB2 Q00653 1/20 0.70
RELA Q04206 1/20 0.70
L3MBTL1 Q9Y468 2/20 0.64
HPGD P15428 2/20 0.64
FDPS P14324 1/20 0.63
MITF O75030 1/20 0.62
POLB P06746 1/20 0.62
UBE2N P61088 1/20 0.62
MRGPRX4 Q96LA9 1/20 0.61
CYP1A2 P05177 2/20 0.60
CYP2C9 P11712 2/20 0.60

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
SCHEMBL30880064 0.91 TACR2 (0.86) TACR2ALDH1A1MAPTMEN1KMT2A
SCHEMBL7149581 0.91 TACR2 (0.86) TACR2ALDH1A1MAPTMEN1KMT2A
SCHEMBL2556112 0.91 TACR2 (0.76) TACR2ALDH1A1MAPTMEN1KMT2A
SCHEMBL13220784 0.87 TACR2 (1.00) TACR2ALDH1A1MAPTMEN1KMT2A
SCHEMBL14682675 0.87 TACR2 (0.80) TACR2ALDH1A1MAPTMEN1KMT2A
SCHEMBL12517074 0.87 ALDH1A1 (0.66) TACR2ALDH1A1MAPTMEN1KMT2A
SCHEMBL14554263 0.87 ALDH1A1 (0.66) TACR2ALDH1A1MAPTMEN1KMT2A
SCHEMBL2699064 0.87 ALDH1A1 (0.66) TACR2ALDH1A1MAPTMEN1KMT2A
SCHEMBL29269311 0.87 ALDH1A1 (0.64) TACR2ALDH1A1MAPTMEN1KMT2A
SCHEMBL30996903 0.87 ALDH1A1 (0.64) TACR2ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240033363-A1 ALC1 Inhibitors and Synergy with PARPi EISBACH BIO GMBH (DE) 2024-02-01 US disclosed
EP-4255910-A1 ALC1 INHIBITORS AND SYNERGY WITH PARPI Eisbach Bio GmbH (DE) 2023-10-11 EP disclosed
WO-2022117782-A1 ALC1 INHIBITORS AND SYNERGY WITH PARPI EISBACH BIO GMBH (DE) 2022-06-09 WO disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
EP-3088400-A1 PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON INC. (US) 2016-11-02 EP disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-08-07 US disclosed
US-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-08-07 US disclosed
WO-2008080015-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
WO-2008080015-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
WO-2008079909-A1 PYRROLO [2,3-B] PYRIDINES AS KINASE MODULATORS PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
EP-1893612-A1 PYRROLO [2, 3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2008-03-05 EP disclosed
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 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-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 TACR2 4113/4885ALDH1A1 4348/4885MAPT 2203/4885
US-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 TACR2 4113/4885ALDH1A1 4348/4885MAPT 2203/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 TACR2 4113/4885ALDH1A1 4348/4885MAPT 2203/4885
US-20240033363-A1 ALC1 Inhibitors and Synergy with PARPi PARP11, PARP1, BRCA1 TACR2 4840/4885ALDH1A1 722/4885MAPT 3260/4885

“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.