SCHEMBL5123545

SCHEMBL5123545

CCc1cc2c(NCCc3ccc4c(c3)OCO4)nc(-c3ccncc3)nc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 7/20 0.64
BCDIN3D Q7Z5W3 1/20 0.43
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
PDE5A O76074 1/20 0.41
CNR2 P34972 1/20 0.41
ADORA1 P30542 2/20 0.39
AURKA O14965 1/20 0.39
TMIGD3 P0DMS9 1/20 0.39
HPGD P15428 1/20 0.39
ADORA2A P29274 1/20 0.39
FLT1 P17948 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
SCHEMBL7519905 0.95 PRKCI (0.58) PRKCIBCDIN3DMAPTNPSR1KDM4E
SCHEMBL7609419 0.94 PRKCI (0.64) PRKCIKDM4EMAPK1ALDH1A1CNR2
SCHEMBL5124572 0.91 PRKCI (0.61) PRKCIMAPTNPSR1KDM4EMAPK1
SCHEMBL5128167 0.90 PRKCI (0.50) PRKCIBCDIN3DMAPTNPSR1KDM4E
SCHEMBL5122898 0.89 MAPT (0.56) PRKCIBCDIN3DMAPTNPSR1KDM4E
SCHEMBL5117565 0.88 PRKCI (0.48) PRKCIBCDIN3DMAPTNPSR1KDM4E
SCHEMBL8181651 0.88 PRKCI (0.48) PRKCIBCDIN3DKDM4EMAPK1CYP1A2
SCHEMBL5120472 0.87 PRKCI (0.48) PRKCIBCDIN3DMAPTNPSR1KDM4E
SCHEMBL5123081 0.86 PRKCI (0.47) PRKCIBCDIN3DMAPTNPSR1KDM4E
SCHEMBL8184670 0.86 PRKCI (0.47) PRKCIBCDIN3DMAPTKDM4ECYP1A2

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-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 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-20080045529-A1 Use Of Thienopyrimidines TIE1, DPYD, TK2 PRKCI 1513/4885BCDIN3D 1161/4885MAPT 2997/4885

“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.