SCHEMBL7687249

SCHEMBL7687249

Cc1c(-c2ccncc2)[nH]c(-c2ccncc2)c1C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.59
CSNK1D P48730 1/20 0.59
CLK2 P49760 1/20 0.59
CSNK1G1 Q9HCP0 1/20 0.59
GCGR P47871 1/20 0.55
RAB9A P51151 4/20 0.53
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
STAT1 P42224 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7696380 0.87 CSNK1A1 (0.62) CSNK1A1CSNK1DCLK2CSNK1G1GCGR
SCHEMBL4184780 0.87 CSNK1A1 (0.62) CSNK1A1CSNK1DCLK2CSNK1G1GCGR
SCHEMBL7688692 0.84 CSNK1A1 (0.69) CSNK1A1CSNK1DCLK2CSNK1G1GCGR
SCHEMBL7680958 0.81 CSNK1A1 (0.66) CSNK1A1CSNK1DCLK2CSNK1G1RAB9A
SCHEMBL7689417 0.80 CSNK1A1 (0.64) CSNK1A1CSNK1DCLK2CSNK1G1GCGR
SCHEMBL7681361 0.79 CSNK1D (0.88) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7692080 0.79 CSNK1D (0.88) CSNK1A1CSNK1DCLK2CSNK1G1SMN1; SMN2
SCHEMBL7681279 0.79 CSNK1A1 (0.62) CSNK1A1CSNK1DCLK2CSNK1G1GCGR
SCHEMBL2646215 0.79 GCGR (0.52) GCGR
SCHEMBL7690506 0.78 CSNK1A1 (0.61) CSNK1A1CSNK1DCLK2CSNK1G1GCGR

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-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
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.