SCHEMBL12328107

SCHEMBL12328107

Cc1ccc2ccc3nc(C)[nH]c3c2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 6/20 0.46
▸ MAOA P21397 1/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NCK1 P16333 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ NQO2 P16083 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2756731 0.87 CYP1A2 (0.44) TYMSMAOACYP1A2CYP2A6LMNA
SCHEMBL12327738 0.80 CYP1A2 (0.46) TYMSMAOACYP1A2CYP2A6LMNA
SCHEMBL10644678 0.79 TYMS (0.60) TYMSMAOACYP1A2CYP2A6ALDH1A1
SCHEMBL15045589 0.79 CYP1A2 (0.42) TYMSCYP1A2LMNAALDH1A1PARP1
SCHEMBL13383928 0.77 ALDH1A1 (0.48) TYMSLMNAALDH1A1POLBKMT2A
SCHEMBL6450968 0.76 TYMS (0.73) TYMSPARP1
SCHEMBL13120672 0.75 TYMS (0.41) TYMSCYP1A2LMNAALDH1A1POLB
SCHEMBL7263029 0.74 KDM4E (0.66) TYMSLMNAALDH1A1POLBKMT2A
SCHEMBL29535139 0.74 KDM4E (0.66) TYMSLMNAALDH1A1POLBKMT2A
SCHEMBL13383924 0.74 TYMS (0.44) TYMSLMNAALDH1A1PARP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 — — US disclosed
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-01-12 — — US disclosed
US-9096725-B2 Cross-linked polyazole, method of preparing the polyazole, electrode for fuel cell including the cross-linked polyazole, electrolyte membrane for fuel cell including the cross-linked polyazole, method of manufacturing the electrolyte membrane, and fuel cell including the cross-linked polyazole SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-08-04 — — US disclosed
US-9096725-B2 Cross-linked polyazole, method of preparing the polyazole, electrode for fuel cell including the cross-linked polyazole, electrolyte membrane for fuel cell including the cross-linked polyazole, method of manufacturing the electrolyte membrane, and fuel cell including the cross-linked polyazole SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-08-04 — — US disclosed
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 — — US disclosed
US-20110223134-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2011-09-15 — — US disclosed
US-20100273087-A1 CROSS-LINKED POLYAZOLE, METHOD OF PREPARING THE POLYAZOLE, ELECTRODE FOR FUEL CELL INCLUDING THE CROSS-LINKED POLYAZOLE, ELECTROLYTE MEMBRANE FOR FUEL CELL INCLUDING THE CROSS-LINKED POLYAZOLE, METHOD OF MANUFACTURING THE ELECTROLYTE MEMBRANE, AND FUEL CELL INCLUDING THE CROSS-LINKED POLYAZOLE SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-10-28 — — US disclosed
US-20100273087-A1 CROSS-LINKED POLYAZOLE, METHOD OF PREPARING THE POLYAZOLE, ELECTRODE FOR FUEL CELL INCLUDING THE CROSS-LINKED POLYAZOLE, ELECTROLYTE MEMBRANE FOR FUEL CELL INCLUDING THE CROSS-LINKED POLYAZOLE, METHOD OF MANUFACTURING THE ELECTROLYTE MEMBRANE, AND FUEL CELL INCLUDING THE CROSS-LINKED POLYAZOLE SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-10-28 — — 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 (3 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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 TYMS 747/4885MAOA 783/4885CYP1A2 364/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L TYMS 249/4885MAOA 2432/4885CYP1A2 1816/4885
US-20110223134-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES FOXM1, ZC3HAV1L, C1S TYMS 1195/4885MAOA 2188/4885CYP1A2 139/4885

“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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