SCHEMBL5128041

SCHEMBL5128041

Clc1cc2c(NCCc3ccccc3)nc(-c3ccccn3)nc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 6/20 0.65
KMT2A Q03164 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
JAK2 O60674 1/20 0.65
PPP1CA P62136 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
METAP2 P50579 2/20 0.61
HIF1A Q16665 3/20 0.54
NPC1 O15118 2/20 0.49
MEN1 O00255 1/20 0.49
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
PDE5A O76074 4/20 0.48
APP P05067 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5116097 0.89 KMT2A (0.63) METAP1KMT2AL3MBTL1JAK2PPP1CA
SCHEMBL5122201 0.89 ADORA2A (0.51) METAP1KMT2AL3MBTL1JAK2PPP1CA
SCHEMBL5125720 0.87 METAP1 (0.65) METAP1KMT2AL3MBTL1JAK2PPP1CA
SCHEMBL5115723 0.86 METAP1 (0.64) METAP1KMT2AL3MBTL1JAK2PPP1CA
SCHEMBL7518453 0.85 METAP1 (0.57) METAP1KMT2AL3MBTL1JAK2PPP1CA
SCHEMBL5129787 0.85 METAP1 (0.47) METAP1KMT2AL3MBTL1JAK2PPP1CA
SCHEMBL7609294 0.85 METAP1 (0.47) METAP1KMT2AL3MBTL1JAK2PPP1CA
SCHEMBL5125050 0.84 METAP1 (0.61) METAP1KMT2AL3MBTL1JAK2PPP1CA
SCHEMBL5117543 0.83 KDM4E (0.64) METAP1KMT2AL3MBTL1JAK2PPP1CA
SCHEMBL5129142 0.83 METAP1 (0.59) METAP1KMT2AL3MBTL1JAK2PPP1CA

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 METAP1 954/4885KMT2A 388/4885L3MBTL1 2278/4885

“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.