Sugi Predict

Sugi Predict / Compounds / SCHEMBL270345

SCHEMBL270345

SCHEMBL270345

CC(C)(C)c1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.47
▸ KIF11 P52732 3/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ MITF O75030 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NOTUM Q6P988 1/20 0.41
▸ HTT P42858 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ TNKS O95271 2/20 0.40

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
SCHEMBL2028396 0.83 ADH5 (0.32) —
SCHEMBL14532857 0.82 NPC1 (0.37) XDHHDAC6ALDH1A1HTTSMN1; SMN2
SCHEMBL3880312 0.82 HDAC3 (0.56) HDAC6KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL13411813 0.81 ADH5 (0.36) —
SCHEMBL704506 0.81 GFER (0.47) KIF11NOTUMKDM4EPOLBNPC1
SCHEMBL270865 0.79 KIF11 (0.49) KIF11
SCHEMBL22059613 0.79 EPHX2 (0.66) HDAC6KMT2ANPC1RAB9A
SCHEMBL184092 0.78 DCUN1D1 (0.44) ALDH1A1KMT2ANOTUMHTTSMN1; SMN2
SCHEMBL12648708 0.77 CYP1A2 (0.38) ALDH1A1TP53KMT2ANPC1RAB9A
SCHEMBL8339323 0.77 ESR1 (0.41) TP53SMN1; SMN2NPC1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 — — US disclosed
US-10730842-B2 Small molecule inhibitors of DYRK1A and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-08-04 — — US disclosed
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2020-02-06 — — US disclosed
US-9371329-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-06-21 — — US disclosed
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 — — US disclosed
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 — — US disclosed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 — — US disclosed
US-8952009-B2 Chroman derivatives as TRPM8 inhibitors AMGEN INC. (US) 2015-02-10 — — US disclosed
US-8952034-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 — — US disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 — — US disclosed
US-6329082-B1 GOOD SOLUBILITY, IMPROVED FILM-FORMING PROPERTIES AND A SIGNIFICANTLY REDUCED TENDENCY TO CRYSTALLIZE. HOECHST AKTIENGESELLSCHAFT (DE) 2001-12-11 — — US disclosed
CN-1289468-A Use of spiro compound as laser dyes AXIVA GMBH (DE) 2001-03-28 — — CN disclosed
US-6187224-B1 ORGANIC SPIRO COMPOUNDS WHICH COMPRISE A CONJUGATED SYSTEM AXIVA GMBH (DE) 2001-02-13 — — US disclosed
EP-1053578-A1 USE OF SPIRO COMPOUNDS AS LASER DYES Axiva GmbH (DE) 2000-11-22 — — EP disclosed
WO-1999040655-A1 USE OF SPIRO COMPOUNDS AS LASER DYES AXIVA GMBH (DE) 1999-08-12 — — WO disclosed
US-5840217-A LIGHT-EMITTING, CHARGE-TRANSPORT, CHARGE-INJECTION MATERIALS HOECHST AKTIENGESELLSCHAFT (DE) 1998-11-24 — — US disclosed
EP-0793699-B1 HETEROSPIRO-COMPOUNDS AND THEIR USE AS ELECTROLUMINESCENT MATERIALS HOECHST AG (DE) 1998-10-07 — — EP disclosed
CN-1170425-A Heterospiro-compounds and their use as electroluminescent materials HOECHST AG (DE) 1998-01-14 — — CN disclosed
CN-1112951-A Spiro-compound and application as electric luminescent material HOECHST AG (DE) 1995-12-06 — — CN disclosed
EP-0676461-A2 Spiro compounds and their application as electroluminescence materials HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-11 — — EP 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 (5 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-10730842-B2 Small molecule inhibitors of DYRK1A and uses thereof DYRK1A, DYRK2, DYRK1B XDH 4325/4885KIF11 2797/4885HDAC6 333/4885
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E XDH 1834/4885KIF11 3703/4885HDAC6 548/4885
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 XDH 615/4885KIF11 3627/4885HDAC6 1685/4885
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 XDH 2408/4885KIF11 2926/4885HDAC6 1953/4885
US-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, HBG1 XDH 617/4885KIF11 3930/4885HDAC6 3602/4885

“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.