SCHEMBL2128107

SCHEMBL2128107

CC(C)(C)CCNc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.41
▸ CTSD P07339 1/20 0.41
▸ FDPS P14324 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ MDM2 Q00987 1/20 0.34
▸ MLYCD O95822 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAD52 P43351 1/20 0.33
▸ LIMK1 P53667 1/20 0.33

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
SCHEMBL19669165 0.88 F2 (0.40) F2CTSDFDPSADRA2BKCNH2
SCHEMBL26941343 0.85 ADRA2B (0.36) F2ADRA2BKCNH2GRIN2BMAPT
SCHEMBL20626527 0.82 F2 (0.39) F2CTSDFDPSADRA2BKCNH2
SCHEMBL18922336 0.81 F2 (0.41) F2CTSDFDPSADRA2BKCNH2
SCHEMBL26941380 0.81 ACACB (0.35) F2FDPSKCNH2GRIN2BMAPT
SCHEMBL4762870 0.78 MAPT (0.56) MAPTHRH3HIF1AHPGD
SCHEMBL19468970 0.78 CTSD (0.44) F2CTSDFDPSADRA2BMDM2
SCHEMBL13423753 0.77 RAB9A (0.50) POLBHPGD
SCHEMBL5471155 0.77 MAPT (0.38) MAPTHRH3HIF1AMLYCD
SCHEMBL5308535 0.77 MAPT (0.43) MAPTKDM4ELMNAPOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399297-A1 Novel Glutamine Analogs JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-12-14 — — US disclosed
US-20230399297-A1 Novel Glutamine Analogs JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-12-14 — — US disclosed
US-10172858-B2 Combination pharmaceutical compositions and uses thereof INTELLIKINE LLC (US) 2019-01-08 — — US disclosed
US-20180117060-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2018-05-03 — — US disclosed
US-20180117060-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2018-05-03 — — US disclosed
US-9951075-B2 Pteridines useful as HCV inhibitors and methods for the preparation thereof JANSSEN SCIENCES IRELAND UC (IE) 2018-04-24 — — US disclosed
US-20170275288-A1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF JANSSEN SCIENCES IRELAND UC (IE) 2017-09-28 — — US disclosed
US-9724354-B2 Combination of catalytic mTORC1/2 inhibitors and selective inhibitors of Aurora A kinase MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-08 — — US disclosed
US-9724354-B2 Combination of catalytic mTORC1/2 inhibitors and selective inhibitors of Aurora A kinase MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-08 — — US disclosed
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS INTELLIKINE LLC 2017-07-27 — — US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 — — US disclosed
EP-1881834-B1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF JANSSEN R & D IRELAND (IE) 2012-04-25 — — EP disclosed
US-20100190749-A1 Benzoxazole kinase inhibitors and methods of use FAETH THERAPEUTICS, INC. 2010-07-29 — — US disclosed
US-20100184760-A1 Benzoxazole kinase inhibitors and methods of use FAETH THERAPEUTICS, INC. 2010-07-22 — — US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 — — US disclosed
US-7560480-B2 Alkyl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-14 — — US disclosed
US-20090156595-A1 Pteridines useful as HCV inhibitors and methods for the preparation thereof TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-06-18 — — US disclosed
CN-101171014-A Pteridines useful as HCV inhibitors and methods for the preparation thereof TIBOTEC PHARM LTD (IE) 2008-04-30 — — CN disclosed
EP-1881834-A1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF Tibotec Pharmaceuticals Ltd. (IE) 2008-01-30 — — EP disclosed
WO-2006120251-A1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-11-16 — — 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 (9 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-20100184760-A1 Benzoxazole kinase inhibitors and methods of use BMX, MTOR, PDPK1 F2 4324/4885CTSD 2776/4885FDPS 1530/4885
US-20230399297-A1 Novel Glutamine Analogs GLUL, GATD3, GLS F2 3735/4885CTSD 1797/4885FDPS 600/4885
US-20170275288-A1 PTERIDINES USEFUL AS HCV INHIBITORS AND METHODS FOR THE PREPARATION THEREOF HCCS, HAVCR2, MAVS F2 884/4885CTSD 1288/4885FDPS 6/4885
US-20180117060-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE AURKC, MTOR, AURKA F2 4874/4885CTSD 2687/4885FDPS 3511/4885
US-20100190749-A1 Benzoxazole kinase inhibitors and methods of use BMX, MTOR, PDPK1 F2 4324/4885CTSD 2776/4885FDPS 1530/4885
US-10172858-B2 Combination pharmaceutical compositions and uses thereof CDC25C, CCNC, CDC25B F2 4410/4885CTSD 3502/4885FDPS 914/4885
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS MPL, MTX2, SLC10A1 F2 2101/4885CTSD 1313/4885FDPS 763/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 F2 4700/4885CTSD 1966/4885FDPS 976/4885
US-20090156595-A1 Pteridines useful as HCV inhibitors and methods for the preparation thereof HCCS, HAVCR2, MAVS F2 884/4885CTSD 1288/4885FDPS 6/4885

“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.

Send feedback