SCHEMBL5114971

SCHEMBL5114971

CCc1cc2c(Cl)nc(-c3ccncc3)nc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 7/20 0.61
ADORA1 P30542 5/20 0.54
TMIGD3 P0DMS9 3/20 0.54
HPGD P15428 1/20 0.54
ADORA2A P29274 2/20 0.49
SELE P16581 2/20 0.49
VCAM1 P19320 2/20 0.49
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
AGTR1 P30556 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.37
ICAM1 P05362 1/20 0.36
F2 P00734 1/20 0.36

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
SCHEMBL5122794 0.84 ADORA1 (0.54) PRKCIADORA1TMIGD3HPGDADORA2A
SCHEMBL14975387 0.83 PRKCI (0.61) PRKCIADORA1TMIGD3HPGDADORA2A
SCHEMBL5813837 0.82 PRKCI (0.66) PRKCIADORA1ADORA2ASELEVCAM1
SCHEMBL8338691 0.82 SELE (0.45) PRKCISELEVCAM1MEN1KMT2A
SCHEMBL5118573 0.81 PRKCI (0.41) PRKCIADORA1HPGDADORA2AMEN1
SCHEMBL5123556 0.81 ADORA2A (0.42) PRKCIADORA1HPGDADORA2AMEN1
SCHEMBL8187273 0.79 PRKCI (0.44) PRKCIHPGDSELEVCAM1MEN1
SCHEMBL7513321 0.79 PRKCI (0.55) PRKCIMEN1KMT2A
SCHEMBL5129155 0.78 LMNA (0.56) PRKCIADORA1HPGDADORA2ASELE
SCHEMBL5127958 0.78 SELE (0.47) PRKCIADORA1TMIGD3HPGDADORA2A

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 PRKCI 1513/4885ADORA1 1249/4885TMIGD3 4126/4885

“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.