SCHEMBL5120516

SCHEMBL5120516

Cc1sc2nc(-c3ccccn3)nc(Cl)c2c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ HPGD P15428 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ CASP3 P42574 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SENP8 Q96LD8 1/20 0.54
▸ SENP7 Q9BQF6 1/20 0.54
▸ SENP6 Q9GZR1 1/20 0.54
▸ METAP1 P53582 4/20 0.48
▸ METAP2 P50579 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HTT P42858 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 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
SCHEMBL5128833 0.89 SMN1; SMN2 (0.54) SMN1; SMN2HPGDLMNANPC1CASP3
SCHEMBL23991504 0.82 METAP2 (0.56) SMN1; SMN2HPGDLMNANPC1CASP3
SCHEMBL5130348 0.81 HPGD (0.46) SMN1; SMN2HPGDLMNANPC1CASP3
SCHEMBL20665660 0.78 KDM4E (0.63) SMN1; SMN2HPGDLMNANPC1CASP3
SCHEMBL5808228 0.78 POLB (0.44) SMN1; SMN2LMNANPC1RAB9APOLB
SCHEMBL30034993 0.78 NPC1 (0.68) SMN1; SMN2HPGDLMNANPC1CASP3
SCHEMBL5121836 0.78 NPC1 (0.68) SMN1; SMN2HPGDLMNANPC1CASP3
SCHEMBL23976261 0.77 METAP2 (0.44) SMN1; SMN2HPGDLMNANPC1RAB9A
SCHEMBL24127726 0.76 NPC1 (0.43) SMN1; SMN2HPGDLMNANPC1CASP3
SCHEMBL29720442 0.76 NPC1 (0.43) SMN1; SMN2HPGDLMNANPC1CASP3

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 SMN1; SMN2 3222/4885HPGD 1381/4885LMNA 3799/4885

“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.

Send feedback