Sugi Predict

Sugi Predict / Compounds / SCHEMBL10024929

SCHEMBL10024929

SCHEMBL10024929

CC(C)c1ccc2nc(C(C)(C)C)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 1/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SCN4A P35499 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ TYR P14679 1/20 0.36
▸ UGT2B7 P16662 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ NCK1 P16333 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ KDM4E B2RXH2 2/20 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
SCHEMBL14072407 0.87 NPC1 (0.38) PSMB5NPC1RAB9ASCN4ASMN1; SMN2
SCHEMBL17080683 0.87 BACE1 (0.41) PSMB5NPC1RAB9ASCN4ASMN1; SMN2
SCHEMBL23502417 0.86 KCNH2 (0.38) PSMB5KCNH2HRH3CYP1A2UGT2B7
SCHEMBL23841257 0.85 PIK3CD (0.38) PSMB5NPC1RAB9APDE10AALDH1A1
SCHEMBL13310563 0.84 NPC1 (0.39) PSMB5NPC1RAB9ASCN4ASMN1; SMN2
SCHEMBL12516512 0.78 NPC1 (0.42) PSMB5NPC1RAB9ASCN4ASMN1; SMN2
SCHEMBL10057584 0.77 CYP1A2 (0.61) PSMB5NPC1RAB9ASMN1; SMN2KCNH2
SCHEMBL21161262 0.76 NPC1 (0.38) PSMB5NPC1RAB9ASCN4ASMN1; SMN2
SCHEMBL2704185 0.76 KCNH2 (0.42) KCNH2HRH3CYP1A2SCN10ANCK1
SCHEMBL21195656 0.76 NPC1 (0.43) PSMB5NPC1RAB9ASCN4ASMN1; SMN2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446389-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2022-09-20 — — US disclosed
US-20210382060-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF Shanghai Glory Capital Management Ltd. (CN) 2021-12-09 — — US disclosed
US-20200385402-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use REGENERON PHARMACEUTICALS, INC. 2020-12-10 — — US disclosed
US-20200121806-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2020-04-23 — — US disclosed
US-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 — — US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 — — US disclosed
US-9828373-B2 2-amino-pyrido[2,3-D]pyrimidin-7(8H)-one derivatives as CDK inhibitors and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-11-28 — — US disclosed
US-20170304272-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2017-10-26 — — US disclosed
US-20170121323-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AS CDK INHIBITORS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-05-04 — — US disclosed
US-20120039847-A1 Hepatitis C Virus Inhibitors ZHAO SHU-HAI (CN) 2012-02-16 — — US disclosed
US-7524862-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-28 — — US disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 — — 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 (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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 PSMB5 1748/4885NPC1 52/4885RAB9A 2692/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 PSMB5 1748/4885NPC1 52/4885RAB9A 2692/4885
US-20200385402-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use SLC10A1, HNMT, OGFR PSMB5 4202/4885NPC1 397/4885RAB9A 1557/4885
US-20120039847-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, LIPC PSMB5 1849/4885NPC1 25/4885RAB9A 2281/4885
US-20170121323-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AS CDK INHIBITORS AND USES THEREOF CDK6, CDK4, CDK7 PSMB5 2137/4885NPC1 4730/4885RAB9A 3845/4885
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 PSMB5 2696/4885NPC1 1259/4885RAB9A 4067/4885
US-20200121806-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 PSMB5 4334/4885NPC1 395/4885RAB9A 1493/4885
US-11446389-B2 Maytansinoid derivatives, conjugates thereof, and methods of use HNMT, SLC10A1, SLC10A2 PSMB5 4334/4885NPC1 395/4885RAB9A 1493/4885
US-20170304272-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF FXR1, SLC10A1, NR1H4 PSMB5 2730/4885NPC1 77/4885RAB9A 2219/4885

“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.