SCHEMBL840559

SCHEMBL840559

CC(C)c1cccn1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.34
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RIPK1 Q13546 1/20 0.30
TAAR1 Q96RJ0 2/20 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
SCHEMBL24941887 0.81 PTGS2 (0.36) PTGS2
SCHEMBL23188093 0.73 CYP17A1 (0.36)
SCHEMBL732708 0.72
SCHEMBL257385 0.72
SCHEMBL21233096 0.71
SCHEMBL18438723 0.70
SCHEMBL18610680 0.70
SCHEMBL28861272 0.70
SCHEMBL98974 0.70
SCHEMBL25447301 0.69 CYP17A1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4393937-A1 STEROID COMPOUND AND CONJUGATE THEREOF Duality Biologics (Suzhou) Co., Ltd. (CN) 2024-07-03 EP disclosed
US-20240067642-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2024-02-29 US disclosed
US-20240067642-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2024-02-29 US disclosed
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-11-14 US disclosed
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-11-14 US disclosed
US-20230331722-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-10-19 US disclosed
US-11767330-B2 Citrate salt, pharmaceutical compositions, and methods of making and using the same FOGHORN THERAPEUTICS INC. (US) 2023-09-26 US disclosed
US-11767330-B2 Citrate salt, pharmaceutical compositions, and methods of making and using the same FOGHORN THERAPEUTICS INC. (US) 2023-09-26 US disclosed
US-20230242537-A1 IMIDAZOPYRIMIDINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA N.V. (BE) 2023-08-03 US disclosed
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-7956082-B2 Indole derivative having PGD2 receptor antagonist activity SHIONOGI & CO., LTD (JP) 2011-06-07 US disclosed
US-20110065709-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2011-03-17 US disclosed
US-20110028717-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA 2011-02-03 US disclosed
US-7842692-B2 Azaindole derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2010-11-30 US disclosed
WO-2010007114-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 WO disclosed
US-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-08-06 US disclosed
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-04-23 US disclosed
US-20090030014-A1 Indole Derivative Having Pgd2 Receptor Antagonist Activity SHIONOGI & CO., LTD. (JP) 2009-01-29 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 (12 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-20110028717-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, HRH2, PTGDR2 PTGS2 144/4885CYP1A2 546/4885CYP3A4 1052/4885
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 PTGS2 4161/4885CYP1A2 1657/4885CYP3A4 2211/4885
US-20230331722-A1 COMPOUNDS AND USES THEREOF VHL, TFEB, BECN1 PTGS2 4466/4885CYP1A2 2907/4885CYP3A4 2977/4885
US-20110065709-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, AURKB PTGS2 4063/4885CYP1A2 2534/4885CYP3A4 3218/4885
US-20230242537-A1 IMIDAZOPYRIMIDINES AS MODULATORS OF IL-17 IL17A, IL23R, IL2 PTGS2 1074/4885CYP1A2 533/4885CYP3A4 994/4885
US-11767330-B2 Citrate salt, pharmaceutical compositions, and methods of making and using the same CS, SMARCC2, SMARCC1 PTGS2 4464/4885CYP1A2 2706/4885CYP3A4 2243/4885
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors SOS1, SOST, BMP1 PTGS2 3583/4885CYP1A2 861/4885CYP3A4 1471/4885
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, CYSLTR1, CNR1 PTGS2 124/4885CYP1A2 828/4885CYP3A4 893/4885
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS PDK1, PDK2, PDK4 PTGS2 3159/4885CYP1A2 2817/4885CYP3A4 2620/4885
US-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, HRH2, PTGDR2 PTGS2 175/4885CYP1A2 473/4885CYP3A4 685/4885
US-20240067642-A1 COMPOUNDS AND USES THEREOF VHL, TFEB, BECN1 PTGS2 4466/4885CYP1A2 2907/4885CYP3A4 2977/4885
US-20090030014-A1 Indole Derivative Having Pgd2 Receptor Antagonist Activity HRH2, PTGDR, CNR2 PTGS2 113/4885CYP1A2 676/4885CYP3A4 867/4885

“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.