SCHEMBL5117852

SCHEMBL5117852

Cc1csc2nc(-c3ccccn3)nc(NCCc3ccccc3)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 6/20 0.61
METAP2 P50579 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.58
KMT2A Q03164 2/20 0.58
JAK2 O60674 1/20 0.58
PPP1CA P62136 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HIF1A Q16665 3/20 0.54
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
TGFBR1 P36897 1/20 0.46
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL5122136 0.89 NPC1 (0.57) METAP1METAP2L3MBTL1KMT2AJAK2
SCHEMBL5114977 0.89 METAP1 (0.47) METAP1METAP2L3MBTL1KMT2AJAK2
SCHEMBL5114959 0.84 KDM4E (0.59) RAB9ASMN1; SMN2HTTTGFBR1PDE5A
SCHEMBL5119891 0.84 METAP1 (0.44) METAP1METAP2L3MBTL1KMT2AJAK2
SCHEMBL7617098 0.84 RAB9A (0.46) METAP1METAP2L3MBTL1KMT2AJAK2
SCHEMBL5123688 0.83 METAP1 (0.61) METAP1METAP2L3MBTL1KMT2AJAK2
SCHEMBL5118328 0.82 ESR1 (0.50) METAP1METAP2KMT2AHIF1ANPC1
SCHEMBL5121541 0.81 GBA1 (0.60) KMT2ATDP1HIF1ARAB9ASMN1; SMN2
SCHEMBL20659881 0.81 TGFBR1 (0.57) METAP1METAP2L3MBTL1KMT2AJAK2
SCHEMBL5115274 0.81 METAP1 (0.68) METAP1METAP2L3MBTL1KMT2AJAK2

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 954/4885METAP2 860/4885L3MBTL1 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.