SCHEMBL5130348

SCHEMBL5130348

Cc1sc2nc(-c3cnccn3)nc(Cl)c2c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HTT P42858 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ADORA2A P29274 2/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ CYP1A2 P05177 1/20 0.36
▸ RAB9A P51151 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ PRKCI P41743 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP3 P42574 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34

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
SCHEMBL5115392 0.89 NPC1 (0.46) HPGDNPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL5815696 0.81 CDC7 (0.43) HPGDNPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL5120516 0.81 SMN1; SMN2 (0.54) HPGDNPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL5814772 0.80 ADORA2A (0.48) HPGDNPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL5129938 0.78 NPC1 (0.45) HPGDNPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL5809142 0.78 SMN1; SMN2 (0.40) HPGDNPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL5124093 0.77 ALDH1A1 (0.75) HPGDNPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL7509747 0.76 MAPT (0.42) HPGDALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL7515097 0.76 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2POLBLMNAKDM4E
SCHEMBL5119506 0.75 PRKCI (0.57) HPGDNPC1ALDH1A1SMN1; SMN2POLB

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 HPGD 1381/4885NPC1 4863/4885ALDH1A1 1055/4885

“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.

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