SCHEMBL5117397

SCHEMBL5117397

CCc1cc2c(NCc3ccc4c(c3)OCCO4)nc(-n3ccnc3C)nc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.41
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
VCAM1 P19320 1/20 0.40
PDE5A O76074 5/20 0.38
CLK4 Q9HAZ1 3/20 0.38
PPP1CA P62136 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE2A O00408 1/20 0.35

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
SCHEMBL5130771 0.95 PDE5A (0.43) ICAM1SELEVCAM1PDE5ACLK4
SCHEMBL5116294 0.91 CHRM4 (0.42) CHRM4PDE5ACLK4PPP1CANPSR1
SCHEMBL5127706 0.90 CHRM4 (0.41) CHRM4PDE5ACLK4KDM4EALDH1A1
SCHEMBL5118611 0.89 CHRM4 (0.40) CHRM4PDE5ACLK4PPP1CANPSR1
SCHEMBL5120669 0.86 ICAM1 (0.41) ICAM1SELEVCAM1CLK4KDM4E
SCHEMBL5123608 0.86 BCDIN3D (0.42) PDE5AKDM4EALDH1A1TSHRPRKCI
SCHEMBL5125231 0.86 MEN1 (0.42) CHRM4PDE5ACLK4PPP1CANPSR1
SCHEMBL7615358 0.86 PDE5A (0.44) PDE5ACLK4PPP1CANPSR1KDM4E
SCHEMBL5118939 0.84 ICAM1 (0.45) CHRM4ICAM1SELEVCAM1KDM4E
SCHEMBL5123780 0.84 ICAM1 (0.57) ICAM1SELEVCAM1PDE5AKDM4E

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 8 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
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 CHRM4 4573/4885ICAM1 1914/4885SELE 1976/4885

“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.