SCHEMBL18512246

SCHEMBL18512246

COC(=O)CCc1cc(Br)cc(I)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ TPMT P51580 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34

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
SCHEMBL20741843 0.85 MTNR1A (0.39) HPGDMEN1KMT2ACYP1A2ATM
SCHEMBL18512276 0.84 HPGD (0.41) HPGDMEN1KMT2ACYP1A2ATM
SCHEMBL18512274 0.79 HSD17B10 (0.40) HPGDMEN1KMT2ACYP1A2CYP11B1
SCHEMBL5582368 0.74 HPGD (0.50) HPGDMEN1KMT2ACYP1A2ATM
SCHEMBL16294051 0.73 KDM4E (0.53) MEN1KMT2AL3MBTL1EGFRHSD17B10
SCHEMBL18512286 0.71 HSD17B10 (0.35) HPGDMEN1KMT2ACYP1A2ATM
SCHEMBL20741857 0.71 HSP90AB1 (0.42) HPGDMEN1KMT2ACYP1A2ATM
SCHEMBL27933932 0.71 CYP1A2 (0.41) KMT2ACYP1A2HSD17B10ALDH1A1TSHR
SCHEMBL19607137 0.71 HSD17B10 (0.45) MEN1KMT2AHSD17B10TPMTMAPT
SCHEMBL18512307 0.70 HSD17B10 (0.49) HPGDL3MBTL1HSD17B10TPMTALDH1A1

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 HPGD 2904/4885MEN1 3219/4885KMT2A 1009/4885

“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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