SCHEMBL5118611

SCHEMBL5118611

Cc1nccn1-c1nc(NCc2ccc3c(c2)OCCO3)c2cc(C(F)(F)F)sc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.40
USP1 O94782 2/20 0.39
WDR48 Q8TAF3 2/20 0.39
PDE5A O76074 7/20 0.37
CLK4 Q9HAZ1 3/20 0.36
PPP1CA P62136 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
EED O75530 1/20 0.35
PDE2A O00408 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34

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
SCHEMBL5124124 0.95 USP1 (0.44) USP1WDR48PDE5ACLK4PPP1CA
SCHEMBL5117397 0.89 CHRM4 (0.41) CHRM4PDE5ACLK4PPP1CANPSR1
SCHEMBL5116294 0.89 CHRM4 (0.42) CHRM4PDE5ACLK4PPP1CANPSR1
SCHEMBL5127706 0.87 CHRM4 (0.41) CHRM4PDE5ACLK4ALDH1A1HPGD
SCHEMBL5129010 0.87 FLT1 (0.43) USP1WDR48PDE5APPP1CANPSR1
SCHEMBL5129284 0.86 USP1 (0.41) USP1WDR48CLK4ALDH1A1HPGD
SCHEMBL5116037 0.85 KDM4E (0.38) CHRM4USP1WDR48ALDH1A1HPGD
SCHEMBL5115394 0.84 ICAM1 (0.41) USP1WDR48PDE5A
SCHEMBL5120597 0.84 NOS2 (0.46) USP1WDR48PDE5A
SCHEMBL5130771 0.84 PDE5A (0.43) PDE5ACLK4PPP1CANPSR1USP2

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 4573/4885USP1 2251/4885WDR48 1634/4885

“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.