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) —
SCHEMBL257385 0.72 — —
SCHEMBL732708 0.72 — —
SCHEMBL21233096 0.71 — —
SCHEMBL18438723 0.70 — —
SCHEMBL18610680 0.70 — —
SCHEMBL98974 0.70 — —
SCHEMBL28861272 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.

Send feedback