SCHEMBL7713829

SCHEMBL7713829

CC(C)c1nccc2ccncc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
LMNA P02545 1/20 0.40
CYP2A6 P11509 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
TNF P01375 1/20 0.38
POLB P06746 1/20 0.38
RAD52 P43351 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAOA P21397 2/20 0.36
MAPK10 P53779 3/20 0.36
F12 P00748 1/20 0.35
PLAU P00749 1/20 0.35
NCF1 P14598 1/20 0.35
NOS3 P29474 1/20 0.35

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
SCHEMBL31345201 1.00 CLK1 (0.41) CLK1DYRK1AHTR2AHTR2CHTR2B
SCHEMBL14134266 0.86 LMNA (0.40) HTR2AHTR2CHTR2BLMNACYP2A6
SCHEMBL22035513 0.85 CLK1 (0.39) CLK1DYRK1AHTR2AHTR2CHTR2B
SCHEMBL1102399 0.79 LMNA (0.59) LMNACYP2A6NPC1RAB9AF12
SCHEMBL31732807 0.79 LMNA (0.59) LMNACYP2A6NPC1RAB9AF12
Iodide SCHEMBL10722209 0.78 LMNA (0.58) LMNACYP2A6NPC1RAB9AF12
SCHEMBL18237726 0.77 HTR2A (0.38) CLK1DYRK1AHTR2AHTR2CHTR2B
SCHEMBL10058353 0.76 ACHE (0.33) LMNACYP2A6NPC1RAB9A
SCHEMBL19297138 0.74 RPS6KA3 (0.35) DYRK1ALMNAKDM4EHTTPOLB
SCHEMBL19297137 0.74 RPS6KA3 (0.35) DYRK1ALMNAKDM4EHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220741-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF DICE MOLECULES SV, INC. (US) 2023-11-16 WO disclosed
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2023-01-26 US disclosed
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO INC (US) 2023-01-05 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-11174256-B2 Imidazopyridine derivatives GILEAD SCIENCES, INC. (US) 2021-11-16 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-10874675-B2 Pteridine dione monocarboxylate transporter inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-29 US disclosed
US-10851113-B2 Heterocyclic inhibitors of monocarboxylate transporters THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-01 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
WO-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 WO disclosed
US-9376450-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2016-06-28 US disclosed
US-8946230-B2 Aryl- and heteroaryl- nitrogen-heterocyclic compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-03 US disclosed
US-20130253186-A1 HETEROARYLOXYHETEROCYCLYL COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. (US) 2013-09-26 US disclosed
US-8497265-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2013-07-30 US disclosed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
WO-2011143495-A1 HETEROARYLOXYHETEROCYCLYL COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 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 (12 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT CLK1 1701/4885DYRK1A 1107/4885HTR2A 3908/4885
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 CLK1 3889/4885DYRK1A 4574/4885HTR2A 4619/4885
US-10851113-B2 Heterocyclic inhibitors of monocarboxylate transporters SLC16A1, SLC16A3, SLC16A7 CLK1 4471/4885DYRK1A 4747/4885HTR2A 2564/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 CLK1 4088/4885DYRK1A 4360/4885HTR2A 4712/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 CLK1 3055/4885DYRK1A 3724/4885HTR2A 1691/4885
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS HDAC10, PDE10A, PDE9A CLK1 3204/4885DYRK1A 1505/4885HTR2A 198/4885
US-10874675-B2 Pteridine dione monocarboxylate transporter inhibitors SLC16A1, SLC16A3, SLC16A7 CLK1 3941/4885DYRK1A 3970/4885HTR2A 2582/4885
US-20130253186-A1 HETEROARYLOXYHETEROCYCLYL COMPOUNDS AS PDE10 INHIBITORS PDE10A, PDE9A, PDE7A CLK1 1537/4885DYRK1A 1184/4885HTR2A 369/4885
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT CLK1 1701/4885DYRK1A 1107/4885HTR2A 3908/4885
US-11174256-B2 Imidazopyridine derivatives TPMT, IRAK4, CFTR CLK1 3058/4885DYRK1A 3723/4885HTR2A 3478/4885
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 CLK1 3922/4885DYRK1A 4635/4885HTR2A 3498/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 CLK1 3055/4885DYRK1A 3724/4885HTR2A 1691/4885

“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.