SCHEMBL5129364

SCHEMBL5129364

Cc1csc2nc(-c3ccno3)nc(NCCc3ccccc3)c12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
METAP1 P53582 3/20 0.41
METAP2 P50579 2/20 0.41
ESR1 P03372 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.38
TGFBR1 P36897 1/20 0.38
PDE5A O76074 1/20 0.37
SLC26A6 Q9BXS9 1/20 0.37
JAK2 O60674 1/20 0.36
PPP1CA P62136 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRKCI P41743 1/20 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
SCHEMBL5118080 0.89 ESR1 (0.48) ESR1TGFBR1PDE5AKMT2A
SCHEMBL5119781 0.83 PRKCI (0.48) HTTSMN1; SMN2KDM4EMAPK1TDP1
SCHEMBL5118575 0.83 FAAH (0.39) HTTESR1PDE5AKMT2ATDP1
SCHEMBL7618896 0.83 LMNA (0.38) HTTRAB9ASMN1; SMN2ESR1MAPK1
SCHEMBL5114959 0.83 KDM4E (0.59) HTTRAB9ASMN1; SMN2ESR1KDM4E
SCHEMBL5124140 0.82 METAP2 (0.44) HTTSMN1; SMN2METAP1METAP2PRKCI
SCHEMBL5117945 0.81 ESR1 (0.51) SMN1; SMN2ESR1KDM4ETGFBR1SLC26A6
SCHEMBL5117852 0.81 METAP1 (0.61) HTTRAB9ASMN1; SMN2METAP1METAP2
SCHEMBL5121541 0.79 GBA1 (0.60) RAB9ASMN1; SMN2KDM4EMAPK1PDE5A
SCHEMBL5128617 0.79 PDE5A (0.42) RAB9AMETAP1METAP2KDM4EMAPK1

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 HTT 3032/4885RAB9A 3220/4885SMN1; SMN2 3222/4885

“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.