SCHEMBL18512287

SCHEMBL18512287

CC(C)(CC(=O)O)c1cc(Br)cc(I)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ RET P07949 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ RPS6KA3 P51812 1/20 0.37
▸ LIMK1 P53667 1/20 0.37
▸ TYRO3 Q06418 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ THRA P10827 3/20 0.36
▸ THRB P10828 3/20 0.36
▸ PPARG P37231 3/20 0.36
▸ HIF1A Q16665 3/20 0.36
▸ CYP2C9 P11712 2/20 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
SCHEMBL2714462 0.76 CA2 (0.46) CHEK1DAPK3RETPDGFRBPIM1
SCHEMBL18512288 0.74 PTGDR2 (0.48) CHEK1PDGFRBPIM1MAPK8RPS6KA3
SCHEMBL5988354 0.71 TTR (0.58) CHEK1DAPK3RETPDGFRBPIM1
SCHEMBL9774871 0.69 ALDH1A1 (0.42) HIF1ACYP2C9HSD17B10TSHRCYP2C19
SCHEMBL15757953 0.69 CHEK1 (0.37) CHEK1DAPK3RETPDGFRBPIM1
SCHEMBL29611781 0.69 CHEK1 (0.37) CHEK1DAPK3RETPDGFRBPIM1
SCHEMBL27185421 0.68 THRA (0.43) PTGDR2THRATHRBPPARGHIF1A
SCHEMBL18512286 0.68 HSD17B10 (0.35) PTGDR2HSD17B10CYP1A2
SCHEMBL13632764 0.68 PTGDR2 (0.55) PTGDR2TSHRTDP1
SCHEMBL16056956 0.67 CYP2C19 (0.47) PTGDR2HIF1ATSHRCYP2C19HMGCR

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-9783522-B2 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-10-10 — — US disclosed
US-9783522-B2 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-10-10 — — US disclosed
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — US disclosed
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — 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-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF ENPP2, ATXN2, ATXN2L CHEK1 4410/4885DAPK3 3225/4885RET 4272/4885

“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.

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