SCHEMBL1845335

SCHEMBL1845335

Cc1c(N)cccc1C=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
CYP3A4 P08684 3/20 0.56
PIK3CA P42336 1/20 0.56
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 4/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNJ1 P48048 1/20 0.42
ERN1 O75460 3/20 0.40
CD44 P16070 1/20 0.39
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR6 Q9Y2C9 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TRIM24 O15164 2/20 0.38
TRIM33 Q9UPN9 2/20 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
SCHEMBL2451551 0.83 ALDH1A1 (0.59) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL77591 0.79 TSHR (0.40) TSHRCYP3A4PIK3CAALDH1A1TDP1
SCHEMBL1123463 0.77 CYP3A4 (0.56) TSHRCYP3A4PIK3CAALDH1A1TDP1
SCHEMBL29459966 0.76 TSHR (0.65) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL30395616 0.76 ALDH1A1 (0.52) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL1655785 0.76 TDP1 (0.50) TSHRCYP3A4PIK3CAALDH1A1TDP1
SCHEMBL29444 0.76 TSHR (0.65) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL19897782 0.76 ALDH1A1 (0.52) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL29365160 0.75
SCHEMBL29776700 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1442050-B1 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI SAS (IT) 2006-09-13 EP claimed
EP-0827507-B1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM CA LTD (CA) 1999-06-16 EP claimed
EP-0827507-A1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1998-03-11 EP claimed
WO-1996031527-A1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD./BOEHRINGER INGELHEIM (CANADA) LTÉE. (CA) 1996-10-10 WO claimed
US-5545640-A VIRICIDES, HIV; AIDS BIO-MEGA/BOEHRINGER INGELEHEIM RESEARCH INC. (CA) 1996-08-13 US claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-114746069-A Three-step multi-tone hair dyeing method 汉高股份有限及两合公司 2022-07-12 CN disclosed
CN-108473550-A EGF (A) analogues with fatty acid substituents 诺和诺德股份有限公司 2018-08-31 CN disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
EP-1907373-B1 PROCESSES FOR THE PREPARATION OF 4-AMINO-2-(2,6-DIOXOPIPERIDIN-3-YL)ISOINDOLINE-1,3-DIONE COMPOUNDS CELGENE CORP (US) 2013-01-09 EP disclosed
CN-1726218-A Pyrrolopyrimidine derivatives PFIZER PROD INC (US) 2006-01-25 CN disclosed
US-6984716-B2 Phosphorus-containing compound CHANG CHUN PLASTICS CO., LTD. (TW) 2006-01-10 US disclosed
WO-2005070879-A1 METHOD FOR PRODUCING NITRILES AND ISONITRILES BY USING DEHYDRATION REACTORS WITH PROPANEPHOSPHONIC ACID ANHYDRIDES CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2005-08-04 WO disclosed
US-20040077825-A1 Phosphorus-containing compound CHANG CHUN PLASTICS CO., LTD. (TW) 2004-04-22 US disclosed
EP-0827507-B1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM CA LTD (CA) 1999-06-16 EP disclosed
EP-0827507-A1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1998-03-11 EP disclosed
WO-1996031527-A1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD./BOEHRINGER INGELHEIM (CANADA) LTÉE. (CA) 1996-10-10 WO disclosed
US-5545640-A VIRICIDES, HIV; AIDS BIO-MEGA/BOEHRINGER INGELEHEIM RESEARCH INC. (CA) 1996-08-13 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 (1 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-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK TSHR 1435/4885CYP3A4 3280/4885PIK3CA 410/4885

“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.