SCHEMBL5116294

SCHEMBL5116294

Cc1cc2c(NCc3ccc4c(c3)OCCO4)nc(-n3ccnc3C)nc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.42
PDE5A O76074 6/20 0.39
CLK4 Q9HAZ1 4/20 0.39
PDE2A O00408 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
PPP1CA P62136 2/20 0.36

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
SCHEMBL7615358 0.94 PDE5A (0.44) PDE5ACLK4PPP1CANPSR1ALDH1A1
SCHEMBL5117397 0.91 CHRM4 (0.41) CHRM4PDE5ACLK4PDE2ATUBB4A
SCHEMBL5127706 0.91 CHRM4 (0.41) CHRM4PDE5ACLK4PDE2ATUBB4A
SCHEMBL5118611 0.89 CHRM4 (0.40) CHRM4PDE5ACLK4PDE2ATUBB4A
SCHEMBL5125231 0.87 MEN1 (0.42) CHRM4PDE5ACLK4PDE2APPP1CA
SCHEMBL5130771 0.86 PDE5A (0.43) PDE5ACLK4PPP1CANPSR1ALDH1A1
SCHEMBL5123708 0.86 PDE5A (0.43) PDE5ACLK4PDE2APPP1CANPSR1
SCHEMBL5130564 0.86 BCDIN3D (0.43) PDE5ANPSR1ALDH1A1KDM4EMAPK1
SCHEMBL5116085 0.85 TRPV1 (0.37) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL5114161 0.85 ALDH1A1 (0.47) CHRM4PDE5ACLK4PDE2ATUBB4A

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 4573/4885PDE5A 2002/4885CLK4 2791/4885

“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.