SCHEMBL18512337

SCHEMBL18512337

CCOC(=O)[C@H]1C[C@@H]1c1nc(Cl)ccc1OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
P2RX3 P56373 8/20 0.38
MAP3K5 Q99683 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CXCR2 P25025 1/20 0.37
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 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
SCHEMBL18511996 0.87 CA1 (0.47) KMT2ACA12CA1CA2CA9
SCHEMBL18512264 0.87 CA1 (0.47) KMT2ACA12CA1CA2CA9
SCHEMBL18512015 0.87 KMT2A (0.44) KMT2ACA12CA1CA2CA9
SCHEMBL18512267 0.87 CA1 (0.47) KMT2ACA12CA1CA2CA9
SCHEMBL18512266 0.82 KMT2A (0.43) KMT2ACA12CA1CA2CA9
SCHEMBL18512353 0.81 KMT2A (0.38) KMT2AMAP3K5CA12CA1CA2
SCHEMBL29302335 0.78 CXCR2 (0.43) KMT2ACXCR2MAPTRAB9AALDH1A1
SCHEMBL29879505 0.78 CXCR2 (0.43) KMT2ACXCR2MAPTRAB9AALDH1A1
SCHEMBL18512280 0.78 CA12 (0.42) KMT2ACA12CA1CA2CA9
SCHEMBL18526001 0.78 CA12 (0.42) KMT2ACA12CA1CA2CA9

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 KMT2A 1009/4885P2RX3 138/4885MAP3K5 3489/4885

“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.