SCHEMBL5124102

SCHEMBL5124102

Cc1sc2nc(-c3ccncc3)nc(Cl)c2c1Cl

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
NPC1 O15118 2/20 0.52
HPGD P15428 2/20 0.52
POLB P06746 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PRKCI P41743 13/20 0.48
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PRKCZ Q05513 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL5119506 0.88 PRKCI (0.57) ALDH1A1NPC1HPGDPOLBSMN1; SMN2
SCHEMBL5129672 0.83 ALDH1A1 (0.75) ALDH1A1NPC1HPGDPOLBSMN1; SMN2
SCHEMBL8339527 0.80 POLB (0.45) ALDH1A1NPC1HPGDPOLBSMN1; SMN2
SCHEMBL7515109 0.80 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2PRKCIMAPT
SCHEMBL5809171 0.80 PRKCI (0.48) PRKCI
SCHEMBL8170324 0.77 ALDH1A1 (0.49) ALDH1A1NPC1HPGDPOLBSMN1; SMN2
SCHEMBL5127935 0.77 PRKCI (0.51) ALDH1A1NPC1HPGDPOLBSMN1; SMN2
SCHEMBL5813871 0.77 MEN1 (0.46) ALDH1A1HPGDSMN1; SMN2PRKCIMEN1
SCHEMBL5115392 0.75 NPC1 (0.46) ALDH1A1NPC1HPGDPOLBSMN1; SMN2
SCHEMBL5128833 0.75 SMN1; SMN2 (0.54) ALDH1A1NPC1HPGDPOLBSMN1; SMN2

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 1055/4885NPC1 4863/4885HPGD 1381/4885

“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.