SCHEMBL5115624

SCHEMBL5115624

CCc1cc2c(NCc3ccc4c(c3)OCCO4)nc(-c3ccncc3)nc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 6/20 0.61
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 0.42
ADORA1 P30542 2/20 0.41
TMIGD3 P0DMS9 1/20 0.41
HPGD P15428 1/20 0.41
ICAM1 P05362 1/20 0.41
SELE P16581 1/20 0.41
VCAM1 P19320 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
PDE5A O76074 1/20 0.40
PTGS1 P23219 1/20 0.40
TBXAS1 P24557 1/20 0.40
PTGS2 P35354 1/20 0.40
CHRM4 P08173 1/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 3/20 0.40

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
SCHEMBL5124572 0.94 PRKCI (0.61) PRKCIMAPTNPSR1PDE5ACYP1A2
SCHEMBL7609419 0.91 PRKCI (0.64) PRKCIADORA1TMIGD3HPGDHSD17B10
SCHEMBL5122625 0.89 PRKCI (0.47) PRKCIMAPTNPSR1GAACLK4
SCHEMBL5128668 0.89 MAPT (0.61) PRKCIMAPTNPSR1ADORA1CLK4
SCHEMBL5124468 0.87 MAPT (0.46) PRKCIMAPTNPSR1GAACLK4
SCHEMBL5122247 0.87 USP1 (0.46) PRKCIMAPTNPSR1GAACLK4
SCHEMBL5130883 0.86 PRKCI (0.44) PRKCIMAPTNPSR1ADORA1ICAM1
SCHEMBL5116044 0.85 PRKCI (0.64) PRKCIADORA1TMIGD3HPGDICAM1
SCHEMBL5123545 0.85 PRKCI (0.64) PRKCIMAPTNPSR1ADORA1TMIGD3
SCHEMBL5118399 0.85 ICAM1 (0.46) PRKCIMAPTNPSR1ADORA1ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
EP-1685136-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005047292-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2005-05-26 WO disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 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-20080045529-A1 Use Of Thienopyrimidines TIE1, DPYD, TK2 PRKCI 1513/4885MAPT 2997/4885NPSR1 3053/4885

“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.