SCHEMBL7690501

SCHEMBL7690501

CC(=O)c1c[nH]c(-c2ccncc2)c1C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.58
CSNK1D P48730 1/20 0.58
CLK2 P49760 1/20 0.58
CSNK1G1 Q9HCP0 1/20 0.58
CCNC P24863 6/20 0.46
CDK8 P49336 6/20 0.46
HASPIN Q8TF76 1/20 0.46
AXL P30530 1/20 0.43
CDC7 O00311 6/20 0.41
BRPF1 P55201 1/20 0.39
PBRM1 Q86U86 1/20 0.39
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
GCGR P47871 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
SCHEMBL7683073 0.84 SMN1; SMN2 (0.51) CSNK1A1CSNK1DCLK2CSNK1G1HASPIN
SCHEMBL17342913 0.81 RAB9A (0.42) CSNK1A1CSNK1DCLK2CSNK1G1BRPF1
SCHEMBL7742019 0.81 CSNK1A1 (0.45) CSNK1A1CSNK1DCLK2CSNK1G1CCNC
SCHEMBL7685369 0.74 CSNK1A1 (1.00) CSNK1A1CSNK1DCLK2CSNK1G1CCNC
Hydrochloric Acid SCHEMBL7742023 0.71 CSNK1A1 (0.93) CSNK1A1CSNK1DCLK2CSNK1G1CCNC
SCHEMBL7687649 0.71 CSNK1A1 (0.81) CSNK1A1CSNK1DCLK2CSNK1G1CCNC
SCHEMBL6803837 0.69 MAPT (0.51) CSNK1A1CSNK1DCLK2CSNK1G1CCNC
SCHEMBL22258783 0.69 CSNK1A1 (0.42) CSNK1A1CSNK1DCLK2CSNK1G1CCNC
SCHEMBL1395221 0.69 ALDH1A1 (0.46) CSNK1A1CSNK1DCLK2CSNK1G1CCNC
SCHEMBL7681361 0.69 CSNK1D (0.88) CSNK1A1CSNK1DCLK2CSNK1G1CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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.