SCHEMBL16377046

SCHEMBL16377046

CCOC(=O)c1c(C)n(C)c2nc(C)ncc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ USP2 O75604 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ CSNK1D P48730 1/20 0.44
▸ HPGD P15428 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ GABRP O00591 1/20 0.42
▸ GABRD O14764 1/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ GABRB1 P18505 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ GABRA2 P47869 1/20 0.42
▸ GABRB2 P47870 1/20 0.42

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
SCHEMBL16377047 0.86 KMT2A (0.46) KMT2AUSP2SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL12291956 0.81 ALDH1A1 (0.56) KMT2ASMN1; SMN2ALDH1A1CSNK1DKDM4E
SCHEMBL25941342 0.78 HSD17B10 (0.49) KMT2ASMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL25941699 0.76 KMT2A (0.47) KMT2AUSP2SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL25940696 0.76 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL25941801 0.74 ALDH1A1 (0.60) KMT2ASMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL25941698 0.73 ALDH1A1 (0.53) KMT2AUSP2SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL11160851 0.73 KDM4E (0.44) HSD17B10ALDH1A1CSNK1DHPGDKDM4E
SCHEMBL25941246 0.73 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL11161674 0.72 KDM4E (0.47) ALDH1A1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9980952-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-29 — — US disclosed
US-20170312262-A9 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-11-02 — — US disclosed
US-20160333016-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-11-17 — — US disclosed
US-9371331-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-06-21 — — US disclosed
US-20150259351-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-09-17 — — US disclosed
US-9085583-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation—Pharmaceuticals, Inc. (US) 2015-07-21 — — US disclosed
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-01-08 — — 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 (4 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-20170312262-A9 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 KMT2A 84/4885USP2 420/4885SMN1; SMN2 3191/4885
US-20160333016-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 KMT2A 84/4885USP2 420/4885SMN1; SMN2 3191/4885
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 KMT2A 84/4885USP2 420/4885SMN1; SMN2 3191/4885
US-20150259351-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 KMT2A 84/4885USP2 420/4885SMN1; SMN2 3191/4885

“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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