SCHEMBL5114977

SCHEMBL5114977

Cc1csc2nc(-c3cnccn3)nc(NCCc3ccccc3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 3/20 0.47
METAP2 P50579 2/20 0.47
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
JAK2 O60674 1/20 0.45
PPP1CA P62136 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
TGFBR1 P36897 1/20 0.44
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
GBA1 P04062 3/20 0.41
PDE5A O76074 2/20 0.41

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
SCHEMBL5118982 0.90 ESR1 (0.47) SMN1; SMN2KMT2ANPC1ALDH1A1MAPT
SCHEMBL5117852 0.89 METAP1 (0.61) METAP1METAP2RAB9ASMN1; SMN2HTT
SCHEMBL5121541 0.84 GBA1 (0.60) RAB9ASMN1; SMN2KMT2ATDP1NPC1
SCHEMBL5114959 0.84 KDM4E (0.59) RAB9ASMN1; SMN2HTTTGFBR1KDM4E
SCHEMBL5115192 0.84 PRKCI (0.50) METAP1METAP2SMN1; SMN2HTTL3MBTL1
SCHEMBL7617167 0.82 TGFBR1 (0.38) RAB9ASMN1; SMN2HTTL3MBTL1NPC1
SCHEMBL5128338 0.82 BCDIN3D (0.39) RAB9ASMN1; SMN2HTTL3MBTL1KMT2A
SCHEMBL5124002 0.82 METAP1 (0.53) METAP1METAP2L3MBTL1JAK2PPP1CA
SCHEMBL5122443 0.80 ESR1 (0.49) ALDH1A1MAPTTGFBR1KDM4EPDE5A
SCHEMBL7515376 0.80 ALDH1A1 (0.56) RAB9ASMN1; SMN2L3MBTL1KMT2ATDP1

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 860/4885RAB9A 3220/4885

“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.