SCHEMBL321601

SCHEMBL321601

O=C(Nc1cnccc1Cl)c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.56
CYP11B2 P19099 2/20 0.56
MAPT P10636 3/20 0.55
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
KDM4D Q6B0I6 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.47
NT5E P21589 1/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 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
SCHEMBL30785562 0.88 KMT2A (0.61) CYP11B1CYP11B2MAPTGSK3AGSK3B
SCHEMBL23458450 0.87 GSK3A (0.60) GSK3AGSK3BKMT2AKDM4DKDM4C
SCHEMBL17984931 0.85 CYP11B1 (0.56) CYP11B1CYP11B2GSK3AGSK3BKMT2A
SCHEMBL14542346 0.83 CYP11B1 (0.57) CYP11B1CYP11B2MAPTKMT2AMEN1
SCHEMBL16334328 0.79 CYP11B1 (0.56) CYP11B1CYP11B2MAPTKMT2AMEN1
SCHEMBL17624572 0.79 CYP11B1 (0.56) CYP11B1CYP11B2KMT2AMEN1KDM4D
SCHEMBL25229349 0.78 NPC1 (0.71) MAPTKMT2AMEN1CTDSP1LMNA
SCHEMBL3589018 0.77 LMNA (0.53) MAPTGSK3AGSK3BKMT2AKDM4D
SCHEMBL15919442 0.77 CYP11B1 (0.57) CYP11B1CYP11B2MAPTKMT2AMEN1
SCHEMBL22129133 0.76 CYP11B1 (0.60) CYP11B1CYP11B2KMT2AMEN1KDM4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48301-E1 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2020-11-10 US disclosed
EP-2590980-B1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2017-09-20 EP disclosed
EP-2590980-B1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2017-09-20 EP disclosed
US-9670220-B2 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2017-06-06 US disclosed
US-9670220-B2 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2017-06-06 US disclosed
US-9670220-B2 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2017-06-06 US disclosed
US-20150284403-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-10-08 US disclosed
US-20150284403-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-10-08 US disclosed
US-20150284403-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-10-08 US disclosed
US-9096612-B2 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2015-08-04 US disclosed
US-20140066433-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE INC (US) 2014-03-06 US disclosed
US-20140066433-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE INC (US) 2014-03-06 US disclosed
US-20140066433-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE INC (US) 2014-03-06 US disclosed
US-20130203737-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-08 US disclosed
US-20130203737-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-08 US disclosed
US-20130203737-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-08 US disclosed
EP-2590980-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 EP disclosed
CN-103068827-A Fused heterocyclic derivatives as s1p modulators ABBOTT HEALTHCARE PRODUCTS BV 2013-04-24 CN disclosed
WO-2012004373-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 WO disclosed
WO-2012004373-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 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-20140066433-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS S1PR5, S1PR1, S1PR3 CYP11B1 765/4885CYP11B2 1027/4885MAPT 837/4885
US-20130203737-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 CYP11B1 119/4885CYP11B2 163/4885MAPT 4622/4885
US-20150284403-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS S1PR5, S1PR1, S1PR3 CYP11B1 765/4885CYP11B2 1027/4885MAPT 837/4885

“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.