SCHEMBL15051441

SCHEMBL15051441

CCC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3ccccc3Cl)c2)c(C)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
JAK2 O60674 8/20 0.40
ABL1 P00519 4/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
JAK1 P23458 4/20 0.39
TYK2 P29597 4/20 0.39
JAK3 P52333 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TUBB4A P04350 3/20 0.37
TUBB P07437 3/20 0.37
TUBA3C P0DPH7 3/20 0.37
TUBA1B P68363 3/20 0.37
TUBA4A P68366 3/20 0.37
TUBB4B P68371 3/20 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
SCHEMBL15058203 0.89 JAK2 (0.42) JAK2ABL1JAK1TYK2JAK3
SCHEMBL15051427 0.89 ABL1 (0.50) SMN1; SMN2ABL1RAB9A
SCHEMBL15051656 0.88 MAPK8 (0.39) SMN1; SMN2JAK2HSD17B10HPGDRAB9A
SCHEMBL31511985 0.88 MAPK8 (0.39) SMN1; SMN2JAK2HSD17B10HPGDRAB9A
SCHEMBL15072379 0.88 TUBB4A (0.41) SMN1; SMN2JAK2ABL1HSD17B10HPGD
SCHEMBL15051153 0.87 NPC1 (0.42) SMN1; SMN2JAK2ABL1RAB9AJAK1
SCHEMBL15072396 0.84 TUBB4A (0.38) JAK2JAK1TYK2JAK3TUBB4A
SCHEMBL15072470 0.84 JAK2 (0.37) JAK2ABL1JAK1TYK2JAK3
SCHEMBL31512009 0.84 TUBB4A (0.38) JAK2JAK1TYK2JAK3TUBB4A
SCHEMBL31511978 0.84 JAK2 (0.37) JAK2ABL1JAK1TYK2JAK3

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 SMN1; SMN2 3783/4885JAK2 338/4885ABL1 801/4885

“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.