SCHEMBL7673779

SCHEMBL7673779

CN(Cc1cccnc1)C(=O)c1ncc(-c2cc3nccc(Cl)c3s2)n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
PDE7B Q9NP56 1/20 0.40
GRM5 P41594 1/20 0.39
TNF P01375 1/20 0.38
MAPK1 P28482 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
RIPK1 Q13546 1/20 0.37
HTR2C P28335 1/20 0.37
PDK1 Q15118 5/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.35
ADAM17 P78536 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL7670078 0.91 MMP13 (0.34) PDK1DPP4DPP8DPP9LMNA
SCHEMBL7669473 0.85 MCHR1 (0.34) HTR2C
SCHEMBL7669525 0.83 PDE4B (0.36) LMNAHPGDSMN1; SMN2
SCHEMBL7671341 0.80 ALDH1A1 (0.42) GRM5HTR2CLMNAHPGDTSHR
SCHEMBL7671996 0.79 EGFR (0.54) LMNA
SCHEMBL7673585 0.78 STK17B (0.34)
SCHEMBL7673416 0.78 MAP4K4 (0.37)
SCHEMBL7669209 0.78 CNR1 (0.44) LMNATP53HPGDTSHRSMN1; SMN2
SCHEMBL7663028 0.77 KDR (0.35) LMNA
SCHEMBL7673775 0.75 CHRM4 (0.42) MAPK1TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020004511-A1 Thiophene derivatives useful as anticancer agents LUZZIO MICHAEL JOSEPH (US) 2002-01-10 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-20020004511-A1 Thiophene derivatives useful as anticancer agents CCNA1, CCNE1, TP53 CLK1 3181/4885GPBAR1 1920/4885PDE7B 4394/4885

“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.