SCHEMBL4174797

SCHEMBL4174797

O=Cc1cc2c(Cl)cccc2nc1-c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.50
ADORA2A P29274 1/20 0.47
USP2 O75604 5/20 0.42
CYP1A2 P05177 5/20 0.42
CYP3A4 P08684 5/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2C19 P33261 4/20 0.42
MAPK1 P28482 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 2/20 0.40
DHODH Q02127 3/20 0.40
TSHR P16473 2/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CLK4 Q9HAZ1 1/20 0.39
HPN P05981 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL2718869 0.81 NT5E (0.47) NT5EADORA2ACLK4HPNPDE3B
SCHEMBL20061322 0.79 ADORA2A (0.40) NT5EADORA2AUSP2CYP1A2CYP3A4
SCHEMBL1988818 0.78 BCHE (0.46) ADORA2AUSP2CYP1A2CYP3A4CYP2C9
SCHEMBL10251038 0.77 KMT2A (0.49) CYP1A2CYP3A4CYP2C9CYP2C19MAPK1
SCHEMBL1598188 0.76 ALDH1A1 (0.53) CYP1A2CYP3A4CYP2C19ALDH1A1MEN1
SCHEMBL4178011 0.75 ADORA2A (0.47) NT5EADORA2ACYP1A2CYP3A4ALDH1A1
SCHEMBL4170998 0.75 NT5E (0.44) NT5EADORA2AUSP2CYP1A2CYP3A4
SCHEMBL4434201 0.75 ADORA2A (0.47) NT5EADORA2AUSP2CYP1A2CYP3A4
SCHEMBL4435275 0.75 NT5E (0.44) NT5EADORA2AUSP2CYP1A2CYP3A4
SCHEMBL28329980 0.75 PDE3B (0.44) CYP1A2CYP3A4CYP2C19ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2020-02-13 US disclosed
US-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2020-02-13 US disclosed
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2018-04-19 US disclosed
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2018-04-19 US disclosed
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2018-04-19 US disclosed
US-9873701-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
US-9873701-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
US-9873701-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
EP-3045458-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2016-07-20 EP disclosed
EP-3045458-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2016-07-20 EP disclosed
US-8193199-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2012-06-05 US disclosed
US-8193199-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2012-06-05 US disclosed
US-8193199-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2012-06-05 US disclosed
CN-101715453-A Heterogeneous ring compound and application thereof AMGEN INC 2010-05-26 CN disclosed
EP-2137186-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2009-12-30 EP disclosed
US-20090137581-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-05-28 US disclosed
US-20090137581-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-05-28 US disclosed
US-20090137581-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-05-28 US disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 WO disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 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 (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-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 NT5E 4384/4885ADORA2A 1368/4885USP2 1124/4885
US-20090137581-A1 Heterocyclic compounds and their uses MCL1, BCL9, MALT1 NT5E 4384/4885ADORA2A 1368/4885USP2 1124/4885
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 NT5E 4384/4885ADORA2A 1368/4885USP2 1124/4885

“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.