SCHEMBL9889133

SCHEMBL9889133

CC(C)(C)Cn1cc(C(C)(C)C)nn1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
DPP4 P27487 1/20 0.41
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
SMPD1 P17405 4/20 0.35
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MDM4 O15151 1/20 0.31
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL16206206 0.84 HRH4 (0.43) HRH4HRH3DPP4GABRA2GABRB2
SCHEMBL16263166 0.84 AR (0.41) HRH4HRH3DPP4SMPD1MDM4
SCHEMBL18367570 0.84 HRH4 (0.43) HRH4HRH3DPP4GABRA2GABRB2
SCHEMBL18367607 0.84 HRH4 (0.43) HRH4HRH3DPP4GABRA2GABRB2
SCHEMBL12432229 0.81 HRH4 (0.46) HRH4HRH3DPP4GABRA2GABRB2
SCHEMBL21324874 0.80 HRH4 (0.50) HRH4HRH3DPP4GABRA2GABRB2
SCHEMBL18367572 0.79 HRH4 (0.45) HRH4HRH3DPP4GABRA2GABRB2
SCHEMBL12247032 0.78 HRH4 (0.59) HRH4HRH3DPP4GABRA2GABRB2
SCHEMBL12247028 0.78 HRH4 (0.59) HRH4HRH3DPP4GABRA2GABRB2
SCHEMBL12392028 0.78 HRH4 (0.51) HRH4HRH3DPP4GABRA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230235082-A1 SITE-SPECIFIC ANTIBODY CONJUGATES AND THE METHODS FOR PREPARATION OF THE SAME GLYCO-THERAPY BIOTECHNOLOGY CO., LTD. (CN) 2023-07-27 US disclosed
US-20230235082-A1 SITE-SPECIFIC ANTIBODY CONJUGATES AND THE METHODS FOR PREPARATION OF THE SAME GLYCO-THERAPY BIOTECHNOLOGY CO., LTD. (CN) 2023-07-27 US disclosed
US-20230167150-A1 CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS GLYCOMIMETICS, INC. (US) 2023-06-01 US disclosed
US-20230167149-A1 CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS GLYCOMIMETICS, INC. (US) 2023-06-01 US disclosed
US-20230167150-A1 CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS GLYCOMIMETICS, INC. (US) 2023-06-01 US disclosed
US-20230147962-A1 FIBROBLAST ACTIVATION PROTEIN LIGANDS FOR TARGETED DELIVERY APPLICATIONS PHILOCHEM AG (CH) 2023-05-11 US disclosed
WO-2023065137-A1 SITE-SPECIFIC GLYCOPROTEIN CONJUGATES AND METHODS FOR MAKING THE SAME GLYCO-THERAPY BIOTECHNOLOGY CO., LTD. (CN) 2023-04-27 WO disclosed
US-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-09-30 US disclosed
US-10316017-B2 COT modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2019-06-11 US disclosed
US-20190023732-A1 OLIGONUCLEOTIDES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-01-24 US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 US disclosed
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 US disclosed
US-9527853-B2 Fused triazole derivatives as gamma secretase modulators ARES TRADING S.A. (CH) 2016-12-27 US disclosed
US-20150183790-A1 FUSED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS MERCK PATENT GMBH (DE) 2015-07-02 US disclosed
US-20120142711-A1 ACID-LABILE TRIGGER UNITS KTB TUMORFORSCHUNGSGESELLSCHAFT MBH (DE) 2012-06-07 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS HRH4 2806/4885HRH3 2884/4885DPP4 3764/4885
US-20230167150-A1 CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS SIGLEC7, SIGLEC9, CD47 HRH4 3420/4885HRH3 2507/4885DPP4 3572/4885
US-10316017-B2 COT modulators and methods of use thereof BRDT, THRB, HCCS HRH4 2806/4885HRH3 2884/4885DPP4 3764/4885
US-20120142711-A1 ACID-LABILE TRIGGER UNITS ASIC1, ABL1, CA9 HRH4 59/4885HRH3 38/4885DPP4 573/4885
US-20150183790-A1 FUSED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, GSAP, BACE2 HRH4 2422/4885HRH3 2102/4885DPP4 711/4885
US-20230235082-A1 SITE-SPECIFIC ANTIBODY CONJUGATES AND THE METHODS FOR PREPARATION OF THE SAME FUT5, FUT6, SIGLEC7 HRH4 4122/4885HRH3 3740/4885DPP4 1827/4885
US-20230167149-A1 CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS SIGLEC7, SIGLEC9, ASGR1 HRH4 3304/4885HRH3 2198/4885DPP4 3406/4885
US-20190023732-A1 OLIGONUCLEOTIDES NSUN3, DCLRE1B, TRDMT1 HRH4 4355/4885HRH3 4109/4885DPP4 348/4885
US-20230147962-A1 FIBROBLAST ACTIVATION PROTEIN LIGANDS FOR TARGETED DELIVERY APPLICATIONS FAP, FIBP, FGFR1 HRH4 2429/4885HRH3 2865/4885DPP4 1126/4885
US-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD FCER2, SQLE, TTL HRH4 305/4885HRH3 770/4885DPP4 1276/4885
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS HRH4 2806/4885HRH3 2884/4885DPP4 3764/4885

“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.