SCHEMBL7690980

SCHEMBL7690980

Cc1c(-c2ccncc2)[nH]c(-c2ccncc2)c1C(=O)OC(C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.68
CSNK1D P48730 1/20 0.68
CLK2 P49760 1/20 0.68
CSNK1G1 Q9HCP0 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.41
GRM6 O15303 1/20 0.40
BUB1 O43683 4/20 0.39
CDC7 O00311 3/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
GCGR P47871 1/20 0.38
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP17A1 P05093 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
SCHEMBL7686242 0.83 CSNK1A1 (0.73) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7685369 0.81 CSNK1A1 (1.00) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7688692 0.81 CSNK1A1 (0.69) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7685196 0.79 CSNK1A1 (0.68) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
Hydrochloric Acid SCHEMBL7742023 0.78 CSNK1A1 (0.93) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7680958 0.78 CSNK1A1 (0.66) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7689417 0.77 CSNK1A1 (0.64) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL4183351 0.76 CSNK1D (0.73) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL4184780 0.76 CSNK1A1 (0.62) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7696380 0.76 CSNK1A1 (0.62) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-6417202-B1 3-ACETYL-4-METHYL-2,5-DI(4-PYRIDYL)-1H-PYRROLE, FOR EXAMPLE; TREATING CELL ADHESION MOLECULES (CAMS) MEDIATED DISEASES SUCH AS ARTHRITIS, AIDS, SEPTIC SHOCK, CACHEXIA, TRANSPLANT REJECTION PFIZER INC. 2002-07-09 US disclosed
US-20020049235-A1 3-acetyl-4-methyl-2,5-di(4-pyridyl)-1H-pyrrole, for example; treating cell adhesion molecules (CAMs) mediated diseases such as arthritis, AIDS, septic shock, cachexia, transplant rejection PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 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 (2 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-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B CSNK1A1 2764/4885CSNK1D 2846/4885CLK2 3605/4885
US-20020049235-A1 3-acetyl-4-methyl-2,5-di(4-pyridyl)-1H-pyrrole, for example; treating cell adhesion molecules (CAMs) mediated diseases such as arthritis, AIDS, septic shock, cachexia, transplant rejection ICAM1, VCAM1, CD14 CSNK1A1 2321/4885CSNK1D 2460/4885CLK2 4121/4885

“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.