SCHEMBL13819944

SCHEMBL13819944

CC(C)C(=O)Cc1ncccn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.47
KDM4E B2RXH2 3/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 6/20 0.36
HTT P42858 2/20 0.36
P2RX7 Q99572 1/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PSMB8 P28062 1/20 0.33
PSMB5 P28074 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL14553990 0.82 ALDH1A1 (0.36) CYP1A2KDM4EMAPTALDH1A1HTT
SCHEMBL21576123 0.79 CYP1A2 (0.38) CYP1A2KDM4EALDH1A1HTTP2RX7
SCHEMBL21348458 0.78 CYP1A2 (0.42) CYP1A2
SCHEMBL9911543 0.76 CYP1A2 (0.54) CYP1A2KDM4EMAPTALDH1A1HTT
SCHEMBL1719924 0.75 LMNA (0.47) CYP1A2KDM4EMAPTALDH1A1HTT
SCHEMBL26085393 0.74 CYP1A2 (0.30) CYP1A2
SCHEMBL5094342 0.74 P2RX7 (0.41) CYP1A2KDM4EMAPTALDH1A1HTT
SCHEMBL25139494 0.72 CYP1A2 (0.57) CYP1A2MAPTMEN1KMT2ANPC1
SCHEMBL874090 0.72 CYP1A2 (0.50) CYP1A2KDM4EMAPTALDH1A1HTT
SCHEMBL25139421 0.71 HDAC3 (0.54) CYP1A2MAPTALDH1A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
US-10988451-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2021-04-27 US disclosed
US-20200331870-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2020-10-22 US disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 US disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 US disclosed
US-9676760-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-13 US disclosed
US-9676760-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-13 US disclosed
US-9193694-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-11-24 US disclosed
US-20150329558-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-11-19 US disclosed
US-9115096-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-08-25 US disclosed
US-20140135317-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-05-15 US disclosed
US-8586732-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-11-19 US disclosed
US-20130184255-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-07-18 US disclosed
US-20130040998-A1 FLUORINATED HDAC INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-02-14 US disclosed
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2013-01-10 US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 US 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 (11 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-20130184255-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 CYP1A2 2143/4885KDM4E 1140/4885MAPT 4601/4885
US-20200331870-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 CYP1A2 4744/4885KDM4E 2079/4885MAPT 3361/4885
US-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 CYP1A2 4744/4885KDM4E 2079/4885MAPT 3361/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 CYP1A2 4744/4885KDM4E 2079/4885MAPT 3361/4885
US-20130040998-A1 FLUORINATED HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 CYP1A2 1975/4885KDM4E 295/4885MAPT 285/4885
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 CYP1A2 1473/4885KDM4E 1666/4885MAPT 4552/4885
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 CYP1A2 2143/4885KDM4E 1140/4885MAPT 4601/4885
US-10988451-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 CYP1A2 4744/4885KDM4E 2079/4885MAPT 3361/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 CYP1A2 2958/4885KDM4E 502/4885MAPT 2065/4885
US-20140135317-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 CYP1A2 2143/4885KDM4E 1140/4885MAPT 4601/4885
US-20150329558-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 CYP1A2 1473/4885KDM4E 1666/4885MAPT 4552/4885

“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.