SCHEMBL600254

SCHEMBL600254

CCOC1CCC(N)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 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
SCHEMBL600255 1.00 SMYD3 (0.33) SMYD3ALDH1A1SMN1; SMN2GNAI3GNAO1
SCHEMBL25149963 1.00 SMYD3 (0.33) SMYD3ALDH1A1SMN1; SMN2GNAI3GNAO1
Hydrochloric Acid SCHEMBL4171489 0.97 GNAI3 (0.33) SMYD3ALDH1A1SMN1; SMN2GNAI3GNAO1
Hydrochloric Acid SCHEMBL4171485 0.97 GNAI3 (0.33) SMYD3ALDH1A1SMN1; SMN2GNAI3GNAO1
Oxalic Acid SCHEMBL28318237 0.87 SMYD3 (0.38) SMYD3ALDH1A1SMN1; SMN2GNAI3GNAO1
SCHEMBL12855787 0.85 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL184319 0.85
SCHEMBL5674203 0.84
SCHEMBL5674209 0.84
SCHEMBL5674199 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110240548-A A kind of preparation method of Cariliprazine intermediate 上虞京新药业有限公司 2019-09-17 CN claimed
US-12606561-B2 Substituted pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors QURIENT CO., LTD. (KR) 2026-04-21 US disclosed
US-12129237-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2024-10-29 US disclosed
CN-111471021-B Substituted diamino carboxamides and diamino carbonitrile pyrimidines, compositions thereof, and methods of treatment therewith 西格诺药品有限公司 2024-04-02 CN disclosed
EP-4328223-A2 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2024-02-28 EP disclosed
US-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors QURIENT CO., LTD. (KR) 2024-01-02 US disclosed
EP-2699553-B1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-11-08 EP disclosed
US-20230116093-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-04-13 US disclosed
CN-115003671-A JNK inhibitors, pharmaceutical compositions and uses thereof 武汉朗来科技发展有限公司 2022-09-02 CN disclosed
US-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2022-06-07 US disclosed
US-5852023-A Cyclohexylamino and cycloalkoxy nitrogen heterocycles, processes for their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1998-12-22 US disclosed
EP-0817774-A1 CYCLOHEXYLAMINO AND CYCLOHEXYLALKOXY NITROGEN HETEROCYCLES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1998-01-14 EP disclosed
WO-1996030345-A1 CYCLOHEXYLAMINO AND CYCLOHEXYLALKOXY NITROGEN HETEROCYCLES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-10-03 WO disclosed
EP-0294668-B1 (2-CYANO-2-OXIMINOACETYL)-AMINO ACID DERIVATIVES BAYER AG (DE) 1993-04-07 EP disclosed
EP-0294667-B1 (2-CYANO-2-OXIMINOACETYL)-AMINO ACID DERIVATIVES BAYER AG (DE) 1993-03-17 EP disclosed
US-5189061-A Fungicide BAYER AKTIENGESELLSCHAFT (DE) 1993-02-23 US disclosed
US-5026710-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1991-06-25 US disclosed
US-4963548-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-10-16 US disclosed
EP-0294668-A2 (2-cyano-2-oximinoacetyl)-amino acid derivatives BAYER AG (DE) 1988-12-14 EP disclosed
EP-0294667-A2 (2-cyano-2-oximinoacetyl)-amino acid derivatives BAYER AG (DE) 1988-12-14 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-12129237-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 SMYD3 2033/4885ALDH1A1 794/4885SMN1; SMN2 3353/4885
US-12606561-B2 Substituted pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors CDK6, CDKL1, CDK3 SMYD3 2203/4885ALDH1A1 2581/4885SMN1; SMN2 4257/4885
US-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders TYMP, PARK7, PNP SMYD3 2436/4885ALDH1A1 1739/4885SMN1; SMN2 30/4885
US-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors CDKL5, CDK15, CDK5 SMYD3 3248/4885ALDH1A1 916/4885SMN1; SMN2 3122/4885
US-20230116093-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 SMYD3 2033/4885ALDH1A1 794/4885SMN1; SMN2 3353/4885

“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.