SCHEMBL15051168

SCHEMBL15051168

CC(=O)Nc1cc(-n2cc(-c3nc[nH]n3)c(I)n2)c(C)cn1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.34
CRBN Q96SW2 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1F P30939 1/20 0.33
TDO2 P48775 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
PIK3C3 Q8NEB9 2/20 0.31
PIK3CG P48736 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL15051877 0.84 ABL1 (0.36) ABL1CRBNL3MBTL1JAK1TYK2
SCHEMBL15050840 0.82 ABL1 (0.36) ABL1PIK3C3SMN1; SMN2
SCHEMBL15051573 0.81 ADORA3 (0.42) ABL1PIK3CGNPC1RAB9ASMN1; SMN2
SCHEMBL15051589 0.81 NPC1 (0.32) ABL1CRBNJAK1TYK2PIK3C3
SCHEMBL15072424 0.81 CRBN (0.32) ABL1CRBNHTR1AHTR1DHTR1F
SCHEMBL15051698 0.80 AR (0.35) ABL1TYK2PIK3C3NPC1RAB9A
SCHEMBL15051323 0.80 PIK3CA (0.37) ABL1PIK3C3NPC1RAB9ASMN1; SMN2
SCHEMBL15051313 0.79 ABL1 (0.40) ABL1TDO2PIK3C3NPC1RAB9A
SCHEMBL15051295 0.79 RAB9A (0.35) ABL1PIK3C3NPC1RAB9ASMN1; SMN2
SCHEMBL15072744 0.78 PIK3C3 (0.38) ABL1CRBNJAK1TYK2PIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2793880-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2014-10-29 EP disclosed
WO-2013096630-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
WO-2013096630-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 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-20130165464-A1 HETEROARYLS AND USES THEREOF PIK3C2B, PI4KB, PIK3R4 ABL1 801/4885CRBN 2313/4885HTR1A 2341/4885

“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.