SCHEMBL12339195

SCHEMBL12339195

CC(C)N1C(=O)Cc2ccnnc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BMPR1B O00238 3/20 0.36
▸ BMPR1A P36894 3/20 0.36
▸ ACVRL1 P37023 3/20 0.36
▸ ACVR1 Q04771 3/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ USP1 O94782 6/20 0.32
▸ GAA P10253 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ TRPV1 Q8NER1 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
SCHEMBL14570999 0.79 TRIM24 (0.33) BMPR1BBMPR1AACVRL1ACVR1GAA
SCHEMBL12339193 0.78 USP1 (0.38) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL14560231 0.75 BMPR1B (0.35) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL18237516 0.74 PIK3CD (0.31) —
SCHEMBL23932136 0.73 BMPR1B (0.36) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL12339194 0.71 GAA (0.32) GAATDP1
SCHEMBL14560232 0.71 BMPR1B (0.46) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL22402390 0.71 USP1 (0.34) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL12339189 0.69 BMPR1B (0.36) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL14560229 0.68 BMPR1B (0.43) BMPR1BBMPR1AACVRL1ACVR1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO INC (US) 2023-01-05 — — US disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 — — US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 — — US disclosed
US-20140073788-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds ELAN PHARMACEUTICALS, INC. (US) 2014-03-13 — — US disclosed
US-8569426-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2013-10-29 — — US disclosed
US-20130018187-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds ELAN PHARMACEUTICALS, INC. (US) 2013-01-17 — — US disclosed
US-20120329807-A1 Multimeric VLA-4 Antagonists Comprising Polymers Moieties ELAN PHARMACEUTICALS, INC. (US) 2012-12-27 — — US disclosed
US-8268935-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2012-09-18 — — US disclosed
US-7794700-B2 Multimeric VLA-4 antagonists comprising polymer moieties ELAN PHARMACEUTICALS INC. (US) 2010-09-14 — — US disclosed
US-7189721-B2 Bicyclic protein kinase inhibitors SUGEN INC. (US) 2007-03-13 — — US disclosed
US-20070021555-A1 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. 2007-01-25 — — 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 (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-20140073788-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds MANBA, OAT, PIGO BMPR1B 2347/4885BMPR1A 4415/4885ACVRL1 4654/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT BMPR1B 3117/4885BMPR1A 2498/4885ACVRL1 2754/4885
US-20130018187-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds MANBA, OAT, PIGO BMPR1B 2347/4885BMPR1A 4415/4885ACVRL1 4654/4885
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT BMPR1B 3117/4885BMPR1A 2498/4885ACVRL1 2754/4885
US-20120329807-A1 Multimeric VLA-4 Antagonists Comprising Polymers Moieties VCAM1, ICAM1, ITGB4 BMPR1B 4086/4885BMPR1A 3264/4885ACVRL1 2397/4885

“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.

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