SCHEMBL4893579

SCHEMBL4893579

CN1CCN(Cc2ccc(C(=O)O)cc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46
KIT P10721 2/20 0.45
KDM4E B2RXH2 3/20 0.44
RXRA P19793 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.44
MCHR1 Q99705 1/20 0.44
TSHR P16473 1/20 0.44
NR1H2 P55055 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
ADORA1 P30542 1/20 0.43
AGTR1 P30556 1/20 0.43
AGTR2 P50052 1/20 0.43

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
SCHEMBL16380633 0.87 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1HDAC6KIT
SCHEMBL20210280 0.87 KDM4E (0.59) ALDH1A1EPHX2NR1H4HDAC6KDM4E
Hydrochloric Acid SCHEMBL4270059 0.86 HDAC6 (0.47) ALDH1A1KMT2AMEN1HDAC6KIT
SCHEMBL20195981 0.85 KDM4E (0.62) ALDH1A1KMT2AMEN1EPHX2NR1H4
SCHEMBL15847254 0.85 CHKA (0.54) ALDH1A1KMT2AMEN1HDAC6KIT
SCHEMBL3565908 0.84 HDAC6 (0.47) ALDH1A1HDAC6KITKDM4ESMN1; SMN2
SCHEMBL18775267 0.84 ALDH1A1 (0.55) ALDH1A1EPHX2HDAC6KITKDM4E
SCHEMBL13529185 0.83 DDR1 (0.53) ALDH1A1HDAC6KDM4EADORA1AGTR1
SCHEMBL4889004 0.83 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1EPHX2NR1H4
Hydrochloric Acid SCHEMBL4273434 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1EPHX2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550772-B2 Azaindole derivatives as multi kinase inhibitors ORIBASE PHARMA (FR) 2017-01-24 US disclosed
US-9550772-B2 Azaindole derivatives as multi kinase inhibitors ORIBASE PHARMA (FR) 2017-01-24 US disclosed
US-9550772-B2 Azaindole derivatives as multi kinase inhibitors ORIBASE PHARMA (FR) 2017-01-24 US disclosed
US-9493455-B2 Azaindole derivatives as inhibitors of protein kinases ORIBASE PHARMA (FR) 2016-11-15 US disclosed
US-9493455-B2 Azaindole derivatives as inhibitors of protein kinases ORIBASE PHARMA (FR) 2016-11-15 US disclosed
US-9493455-B2 Azaindole derivatives as inhibitors of protein kinases ORIBASE PHARMA (FR) 2016-11-15 US disclosed
US-9403823-B2 Protein kinase inhibitors ORIBASE PHARMA (FR) 2016-08-02 US disclosed
US-9403823-B2 Protein kinase inhibitors ORIBASE PHARMA (FR) 2016-08-02 US disclosed
US-9403823-B2 Protein kinase inhibitors ORIBASE PHARMA (FR) 2016-08-02 US disclosed
US-20160009709-A1 PROTEIN KINASE INHIBITORS ORIBASE PHARMA (FR) 2016-01-14 US disclosed
US-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS ORIBASE PHARMA (FR) 2015-12-10 US disclosed
WO-2014102377-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS ORIBASE PHARMA (FR) 2014-07-03 WO disclosed
WO-2014102378-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ORIBASE PHARMA (FR) 2014-07-03 WO disclosed
WO-2014102376-A1 PROTEIN KINASE INHIBITORS ORIBASE PHARMA (FR) 2014-07-03 WO disclosed
EP-1840122-B1 AMINOPYRIMIDINE COMPOUNDS AND THEIR SALTS, PROCESS FOR PREPARATION AND PHARMACEUTICAL USE THEREOF SUN PIAOYANG (CN) 2013-08-28 EP disclosed
US-8183242-B2 Aminopyrimidine compounds and their salts, process for preparation and pharmaceutical use thereof Sun, Piaoyang (CN) 2012-05-22 US disclosed
CN-1972917-B Aminopyrimidine compounds and their salts, process for preparation and pharmaceutical use thereof PIAOYANG SUN 2010-08-25 CN disclosed
US-20080312251-A1 Aminopyrimidine Compounds and Their Salts, Process for Preparation and Pharmaceutical Use Thereof JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2008-12-18 US disclosed
EP-1840122-A1 AMINOPYRIMIDINE COMPOUNDS AND THEIR SALTS, PROCESS FOR PREPARATION AND PHARMACEUTICAL USE THEREOF Sun, Piaoyang (CN) 2007-10-03 EP disclosed
CN-1939910-A Amino-metadiazine compound and its salt, its preparation and pharmaceutical use SUN PIAOYANG (CN) 2007-04-04 CN 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-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS MAP2K2, MAP2K5, MAP2K3 ALDH1A1 2782/4885KMT2A 585/4885MEN1 1615/4885
US-20160009709-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K2 ALDH1A1 3646/4885KMT2A 1449/4885MEN1 1780/4885
US-20080312251-A1 Aminopyrimidine Compounds and Their Salts, Process for Preparation and Pharmaceutical Use Thereof DPYD, PKN2, TYMP ALDH1A1 2443/4885KMT2A 891/4885MEN1 2079/4885

“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.