SCHEMBL5582181

SCHEMBL5582181

CNc1ncc2c(-c3cccc(Cl)c3)cc(/C=C(\C)C(=O)O)c(OC)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.42
CSNK2A2 P19784 2/20 0.40
CSNK2B P67870 2/20 0.40
CSNK2A1 P68400 2/20 0.40
LTB4R Q15722 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 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
SCHEMBL5582182 1.00 ADORA1 (0.42) ADORA1CSNK2A2CSNK2BCSNK2A1LTB4R
SCHEMBL5582331 0.90 ADORA1 (0.40) ADORA1CSNK2A2CSNK2BCSNK2A1SCN9A
SCHEMBL5582333 0.90 ADORA1 (0.40) ADORA1CSNK2A2CSNK2BCSNK2A1SCN9A
SCHEMBL5581781 0.86 ADORA1 (0.42) ADORA1CSNK2A2CSNK2BCSNK2A1LTB4R
SCHEMBL5581783 0.86 ADORA1 (0.42) ADORA1CSNK2A2CSNK2BCSNK2A1LTB4R
SCHEMBL5582233 0.86 ADORA1 (0.40) ADORA1CSNK2A2CSNK2BCSNK2A1SCN9A
SCHEMBL5582125 0.84 ADORA1 (0.38) ADORA1CSNK2A2CSNK2BCSNK2A1SCN9A
SCHEMBL5582129 0.82 ADORA1 (0.43) ADORA1CSNK2A2CSNK2BCSNK2A1TUBB4A
SCHEMBL5582080 0.82 CCNC (0.41) ADORA1CSNK2A2CSNK2BCSNK2A1
SCHEMBL5582074 0.82 CCNC (0.41) ADORA1CSNK2A2CSNK2BCSNK2A1

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-20070225308-A1 2-Amino Quinazoline Derivative KYOWA HAKKO KOGYO CO.,LTD. (JP) 2007-09-27 US disclosed
EP-1726584-A1 2-AMINOQUINAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-29 EP 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-20070225308-A1 2-Amino Quinazoline Derivative AGTR2, ABL1, AGTR1 ADORA1 406/4885CSNK2A2 467/4885CSNK2B 662/4885

“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.