SCHEMBL627224

SCHEMBL627224

O=C(O)c1nc(I)oc1-c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.46
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXRA P19793 3/20 0.44
RXRB P28702 3/20 0.44
IKBKB O14920 1/20 0.43
NR4A1 P22736 1/20 0.40
NR4A3 Q92570 1/20 0.40
C1R P00736 1/20 0.39
ALPL P05186 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL626966 0.87 IKBKB (0.56) NR4A2KMT2AALDH1A1MEN1NPSR1
SCHEMBL626739 0.83 LMNA (0.42) NR4A2KMT2AALDH1A1MEN1NPSR1
SCHEMBL8823073 0.81 NR4A2 (0.51) NR4A2KMT2AALDH1A1MEN1NPSR1
SCHEMBL30395005 0.72 ADORA2A (0.47) NR4A2KMT2AALDH1A1MEN1NPSR1
SCHEMBL6003919 0.70 NR4A2 (0.54) NR4A2KMT2AALDH1A1MEN1NPSR1
SCHEMBL29197595 0.70 C1R (0.49) KMT2AALDH1A1MEN1NPSR1IKBKB
SCHEMBL16527705 0.70 IKBKB (0.57) KMT2AALDH1A1MEN1NPSR1IKBKB
SCHEMBL6726462 0.67 KMT2A (0.45) NR4A2KMT2AALDH1A1MEN1NPSR1
SCHEMBL9220793 0.67 KMT2A (0.49) NR4A2KMT2AALDH1A1MEN1NPSR1
SCHEMBL2491387 0.67 IKBKB (0.53) KMT2AALDH1A1MEN1NPSR1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
EP-2603216-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2013-06-19 EP disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
WO-2012021615-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2012021615-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 WO 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-20120142732-A1 HETEROARYLS AND USES THEREOF PIK3R4, PIK3C2B, PIK3R1 NR4A2 1277/4885KMT2A 2944/4885ALDH1A1 1905/4885

“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.