SCHEMBL5116044

SCHEMBL5116044

CCc1cc2c(NCc3ccc(Cl)c(Cl)c3)nc(-c3ccncc3)nc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 9/20 0.64
ADORA1 P30542 2/20 0.43
TMIGD3 P0DMS9 1/20 0.43
HPGD P15428 1/20 0.43
ICAM1 P05362 1/20 0.43
SELE P16581 1/20 0.43
VCAM1 P19320 1/20 0.43
PDE5A O76074 2/20 0.42
PTGS1 P23219 1/20 0.42
TBXAS1 P24557 1/20 0.42
PTGS2 P35354 1/20 0.42
ADORA2A P29274 1/20 0.41
USP1 O94782 1/20 0.41
WDR48 Q8TAF3 1/20 0.41
CLK4 Q9HAZ1 3/20 0.39
DYRK1A Q13627 2/20 0.39
CHEK1 O14757 1/20 0.39
ROCK2 O75116 1/20 0.39
RPS6KA5 O75582 1/20 0.39
MAP4K4 O95819 1/20 0.39

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
SCHEMBL5118618 0.89 PRKCI (0.59) PRKCIPDE5A
SCHEMBL5123746 0.88 CLK4 (0.53) PRKCIADORA1PDE5APTGS1TBXAS1
SCHEMBL5129980 0.88 PRKCI (0.47) PRKCIADORA1PDE5APTGS1TBXAS1
SCHEMBL5128113 0.87 PRKCI (0.47) PRKCIADORA1PDE5APTGS1TBXAS1
SCHEMBL5125278 0.86 PRKCI (0.68) PRKCIADORA1TMIGD3HPGDICAM1
SCHEMBL8184863 0.86 PRKCI (0.48) PRKCIHPGDICAM1SELEVCAM1
SCHEMBL7513321 0.86 PRKCI (0.55) PRKCIPDE5A
SCHEMBL5122150 0.85 PRKCI (0.46) PRKCIADORA1HPGDICAM1SELE
SCHEMBL5115624 0.85 PRKCI (0.61) PRKCIADORA1TMIGD3HPGDICAM1
SCHEMBL5122893 0.85 PRKCI (0.69) PRKCIADORA1TMIGD3HPGDICAM1

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 4 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
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

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.