SCHEMBL4499226

SCHEMBL4499226

Cc1ccc2onc(N3CCNCC3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.46
ADRB2 P07550 1/20 0.46
ADRA2A P08913 1/20 0.46
AXL P30530 1/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46
HTR6 P50406 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
ADRB1 P08588 2/20 0.44
LMNA P02545 4/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HIF1A Q16665 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
LPAR5 Q9H1C0 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL6219432 0.88 HTR2C (0.44) HTR2CADRB2ADRA2AAXLHRH1
SCHEMBL4688795 0.86 TP53 (0.40) HTR2CADRB2ADRA2AAXLHRH1
SCHEMBL2710036 0.82 HTT (0.58) HTR2CMAPTHPGDHTT
SCHEMBL5767981 0.82 KDR (0.47) HTR2CHTTHTR1AHTR3A
SCHEMBL6220944 0.82 HRH4 (0.54) HTR2CADRB2ADRA2AHRH1HTR2B
SCHEMBL2709277 0.82 NCF1 (0.54) ADRB1CYP1A2CYP3A4HTR1AHTR3A
Hydrochloric Acid SCHEMBL1963879 0.81 KDR (0.46) HTR2CHTTHTR1AHTR3A
SCHEMBL2709881 0.80 CYP1A2 (0.46) HTR2CLMNAMAPTCYP1A2CYP3A4
SCHEMBL194219 0.78 HTR2C (0.50) HTR2CHTR6MAPTHIF1ACYP1A2
SCHEMBL13448254 0.77 HTR2C (0.40) HTR2CADRB1HIF1ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491729-B2 3-Substituted 3,4-dihydro-thieno[2,3-d]pyrimidin-4-one derivatives, production and use thereof ABBOTT GMBH & CO. KG (DE) 2009-02-17 US disclosed
EP-1572698-B1 3-SUBSTITUTED 3,4-DIHYDRO-THIENO¬2,3-D PYRIMIDINE-4-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF ABBOTT GMBH & CO KG (DE) 2008-07-02 EP disclosed
US-20060142317-A1 3-Substituted 3,4-dihydro-thieno[2,3-d]pyrimidin-4-one derivatives, production and use thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2006-06-29 US disclosed
EP-1572698-A1 3-SUBSTITUTED 3,4-DIHYDRO-THIENO[2,3-D]PYRIMIDINE-4-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF Abbott GmbH & Co. KG (DE) 2005-09-14 EP disclosed
WO-2004055024-A1 3-SUBSTITUTED 3,4-DIHYDRO-THIENO[2,3-D]PYRIMIDINE-4-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2004-07-01 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 (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-20060142317-A1 3-Substituted 3,4-dihydro-thieno[2,3-d]pyrimidin-4-one derivatives, production and use thereof HTR3C, DRD3, HTR4 HTR2C 4/4885ADRB2 71/4885ADRA2A 60/4885

“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.