SCHEMBL5128236

SCHEMBL5128236

Cc1sc2nc(-n3cccn3)nc(NCCc3ccc4c(c3)OCO4)c2c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
BCDIN3D Q7Z5W3 1/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 1/20 0.39
NOS2 P35228 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
PRKCI P41743 1/20 0.38
POLB P06746 1/20 0.38
RAD52 P43351 1/20 0.38
PDE5A O76074 1/20 0.37
NOS1 P29475 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FLT1 P17948 2/20 0.36
KDR P35968 2/20 0.36
GALR3 O60755 1/20 0.35

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
SCHEMBL5128977 0.92 BCDIN3D (0.40) SMN1; SMN2LMNAHTTBCDIN3DALDH1A1
SCHEMBL5129318 0.91 ALDH1A1 (0.42) SMN1; SMN2LMNAALDH1A1MAPTKDM4E
SCHEMBL5128666 0.86 BCDIN3D (0.42) SMN1; SMN2LMNAHTTBCDIN3DALDH1A1
SCHEMBL5128237 0.86 BCDIN3D (0.41) SMN1; SMN2HTTBCDIN3DALDH1A1MAPT
SCHEMBL5128714 0.86 ALDH1A1 (0.47) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL5118165 0.85 BCDIN3D (0.45) SMN1; SMN2BCDIN3DALDH1A1MAPTNOS2
SCHEMBL5128265 0.85 NOS2 (0.54) NOS2NOS1
SCHEMBL5781513 0.85 ALDH1A1 (0.44) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL5124186 0.84 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTBCDIN3DALDH1A1
SCHEMBL5116225 0.83 BCDIN3D (0.44) BCDIN3DALDH1A1MAPTNOS2KDM4E

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 6 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
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 SMN1; SMN2 3222/4885LMNA 3799/4885HTT 3032/4885

“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.