SCHEMBL5113942

SCHEMBL5113942

O=[N+]([O-])c1cc2c(NCCc3ccc4c(c3)OCO4)nc(-c3ccncc3)nc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 5/20 0.44
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 3/20 0.39
BCDIN3D Q7Z5W3 1/20 0.39
ROCK1 Q13464 1/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL7516851 0.95 PRKCI (0.41) PRKCIMAPTNPSR1MAPK1KDM4E
SCHEMBL7617623 0.95 PRKCI (0.44) PRKCIMAPTMAPK1KDM4EALDH1A1
SCHEMBL5124147 0.91 MAPT (0.49) PRKCIMAPTNPSR1MAPK1KDM4E
SCHEMBL5115699 0.90 MAPT (0.53) MAPTNPSR1KDM4EBCDIN3DHSD17B10
SCHEMBL8177674 0.89 ALDH1A1 (0.43) MAPTMAPK1ALDH1A1BCDIN3DHSD17B10
SCHEMBL8184826 0.87 ALDH1A1 (0.41) MAPTKDM4EALDH1A1BCDIN3DHSD17B10
SCHEMBL5128548 0.87 BCDIN3D (0.39) MAPTNPSR1KDM4EALDH1A1BCDIN3D
SCHEMBL5119984 0.86 ALDH1A1 (0.38) MAPTALDH1A1BCDIN3DMEN1KMT2A
SCHEMBL7513594 0.86 MAPT (0.49) MAPTNPSR1KDM4EBCDIN3DHSD17B10
SCHEMBL5116980 0.86 MAPT (0.43) PRKCIMAPTNPSR1MAPK1KDM4E

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 1513/4885MAPT 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.