SCHEMBL5129672

SCHEMBL5129672

Cc1sc2nc(-c3cccnc3)nc(Cl)c2c1Cl

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.75
HPGD P15428 4/20 0.75
SMN1; SMN2 Q16637 4/20 0.75
NPC1 O15118 3/20 0.75
POLB P06746 1/20 0.75
L3MBTL1 Q9Y468 1/20 0.75
KDM4E B2RXH2 5/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 2/20 0.56
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KMT2A Q03164 1/20 0.43
CYP2A6 P11509 4/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL5124093 0.89 ALDH1A1 (0.75) ALDH1A1HPGDSMN1; SMN2NPC1POLB
SCHEMBL5124102 0.83 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2NPC1POLB
SCHEMBL7171714 0.83 POLB (0.54) ALDH1A1HPGDSMN1; SMN2NPC1POLB
SCHEMBL7176188 0.81 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2NPC1POLB
SCHEMBL7175525 0.81 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2NPC1POLB
SCHEMBL7016922 0.80 ALDH1A1 (0.62) ALDH1A1HPGDSMN1; SMN2NPC1POLB
SCHEMBL7172866 0.79 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2NPC1POLB
SCHEMBL5124382 0.78 KDM4E (0.70) ALDH1A1HPGDSMN1; SMN2NPC1POLB
SCHEMBL5118967 0.78 ALDH1A1 (0.57) ALDH1A1HPGDSMN1; SMN2NPC1POLB
SCHEMBL7170341 0.78 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2NPC1POLB

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 ALDH1A1 1055/4885HPGD 1381/4885SMN1; 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.