SCHEMBL5115819

SCHEMBL5115819

Cc1csc2nc(-c3cccnc3)nc(NCc3ccc(Cl)c(Cl)c3)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.54
DYRK1A Q13627 1/20 0.54
ALDH1A1 P00352 6/20 0.48
MAPT P10636 4/20 0.48
CYP1A2 P05177 4/20 0.48
CYP3A4 P08684 4/20 0.48
CYP2D6 P10635 4/20 0.48
TSHR P16473 4/20 0.48
CYP2C19 P33261 4/20 0.48
HSD17B10 Q99714 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 3/20 0.48
KDM4E B2RXH2 2/20 0.48
USP2 O75604 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
HIF1A Q16665 1/20 0.48
ESR1 P03372 1/20 0.48
PDE5A O76074 7/20 0.48

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
SCHEMBL5122543 0.90 ALDH1A1 (0.52) CLK4DYRK1AALDH1A1MAPTCYP1A2
SCHEMBL5120732 0.89 ESR1 (0.53) CLK4DYRK1AMAPK1ESR1PDE4A
SCHEMBL7516802 0.87 ALDH1A1 (0.56) CLK4DYRK1AALDH1A1MAPTCYP1A2
SCHEMBL5116120 0.86 POLB (0.58) CLK4ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL5122209 0.86 PDE5A (0.61) CLK4ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL5129949 0.85 MAPT (0.56) CLK4ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL5118580 0.85 ALDH1A1 (0.55) CLK4ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL5123238 0.85 CLK4 (0.54) CLK4DYRK1AALDH1A1MAPTCYP1A2
SCHEMBL5122486 0.85 ESR1 (0.48) CLK4DYRK1AESR1
SCHEMBL7514873 0.85 ALDH1A1 (0.58) CLK4ALDH1A1MAPTCYP1A2CYP3A4

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 CLK4 2791/4885DYRK1A 467/4885ALDH1A1 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.