SCHEMBL213238

SCHEMBL213238

Cc1ccc(OC2CNC2)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.47
▸ MAPT P10636 5/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MEN1 O00255 8/20 0.45
▸ RAB9A P51151 8/20 0.45
▸ NPC1 O15118 7/20 0.45
▸ GAA P10253 2/20 0.44
▸ PKM P14618 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ KLF5 Q13887 2/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ OPRK1 P41145 1/20 0.41

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
SCHEMBL2735278 0.93 KMT2A (0.47) KMT2AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL2735401 0.93 KMT2A (0.47) KMT2AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL214698 0.92 KMT2A (0.46) KMT2AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL2735270 0.88 KMT2A (0.59) KMT2AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL216739 0.86 KMT2A (0.42) KMT2AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL214144 0.85 KMT2A (0.46) KMT2AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL2735431 0.85 KMT2A (0.46) KMT2AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL215789 0.85 KMT2A (0.43) KMT2AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL216823 0.84 ALPL (0.45) KMT2AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL213388 0.84 GAA (0.53) KMT2AMAPTALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 — — US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 — — US claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 — — US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 — — US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 — — US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 — — US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 — — US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 — — 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 KMT2A 437/4885MAPT 2138/4885ALDH1A1 4295/4885

“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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