SCHEMBL805074

SCHEMBL805074

Cc1nc2c(o1)CN(C)CC2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRM3 P20309 2/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADORA2A P29274 2/20 0.32
GRM5 P41594 1/20 0.32
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31

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
SCHEMBL8277483 0.85 CHRM3 (0.37) CYP2C19CYP3A4TSHRHSD17B10CHRM3
SCHEMBL12765092 0.84 DPP4 (0.33)
SCHEMBL19454159 0.79 CYP2C19 (0.39) CYP2C19CYP3A4TSHRHSD17B10CHRM3
SCHEMBL12706687 0.77 CYP3A4 (0.32) CYP3A4TSHRHSD17B10LMNABLM
SCHEMBL21126219 0.77 CYP2C19 (0.37) CYP2C19CYP3A4TSHRHSD17B10CHRM3
SCHEMBL6369625 0.77 CYP3A4 (0.53) CYP2C19CYP3A4TSHRHSD17B10CHRM3
SCHEMBL9963385 0.77 ADORA2A (0.38) CYP3A4TSHRHSD17B10LMNABLM
SCHEMBL1106419 0.77 CYP2C19 (0.37) CYP2C19CYP3A4TSHRHSD17B10CHRM3
SCHEMBL19965721 0.77 CYP3A4 (0.38) CYP2C19CYP3A4TSHRHSD17B10CHRM3
SCHEMBL172052 0.75 PDCD1 (0.38) CYP3A4TSHRHSD17B10LMNABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023247593-A1 PYRROLOPYRIDINE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO disclosed
EP-4050012-A1 PYRIDONE BORONATES FOR THE PREPARATION OF INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-08-31 EP disclosed
EP-4019508-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-06-29 EP disclosed
EP-3521288-B1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2021-09-08 EP disclosed
WO-2020156323-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-08-06 WO disclosed
EP-3521288-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2019-08-07 EP disclosed
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative MEDSHINE DISCOVERY INC. (CN) 2019-03-12 US disclosed
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE MEDSHINE DISCOVERY INC. (CN) 2018-06-14 US disclosed
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE MEDSHINE DISCOVERY INC. (CN) 2018-06-14 US disclosed
EP-3252059-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE Medshine Discovery Inc. (CN) 2017-12-06 EP disclosed
US-20140228361-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-08-14 US disclosed
US-20140194408-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2014-07-10 US disclosed
US-8716274-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2014-05-06 US disclosed
WO-2013067274-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY GENENTECH, INC. (US) 2013-05-10 WO disclosed
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO 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 (7 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-20140228361-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE ABL1, PRKDC, JAK2 CYP2C19 3464/4885CYP3A4 3297/4885TSHR 3028/4885
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE NDUFV1, NDUFV2, MT-ND4 CYP2C19 1160/4885CYP3A4 844/4885TSHR 2753/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 CYP2C19 951/4885CYP3A4 854/4885TSHR 331/4885
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 CYP2C19 709/4885CYP3A4 743/4885TSHR 2642/4885
US-20140194408-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 CYP2C19 709/4885CYP3A4 743/4885TSHR 2642/4885
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative NDUFV1, NDUFV2, MT-ND4 CYP2C19 1160/4885CYP3A4 844/4885TSHR 2753/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 CYP2C19 3637/4885CYP3A4 4200/4885TSHR 3954/4885

“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.