SCHEMBL913784

SCHEMBL913784

CCOC(=O)c1cnc(Cl)nc1N(C)c1cnn(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALOX15 P16050 2/20 0.42
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SYK P43405 1/20 0.41
FOS P01100 2/20 0.40
JUN P05412 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
LMNA P02545 2/20 0.39
PIK3CD O00329 1/20 0.38
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 4/20 0.38
POLB P06746 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38

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
SCHEMBL914086 0.83 NFKB1 (0.38) ALDH1A1SMN1; SMN2JUNNFKB1NFKB2
SCHEMBL8295823 0.79 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2NPC1RAB9AALOX15
SCHEMBL913783 0.72 SYK (0.48) ALDH1A1SMN1; SMN2RAB9AALOX15TP53
SCHEMBL11584325 0.72 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AALOX15
SCHEMBL3435395 0.71 RAB9A (0.53) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL31391972 0.71 RAB9A (0.53) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL476310 0.71 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL29922173 0.71 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL762026 0.70 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL8395110 0.70 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 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 (2 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-20130137673-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 ALDH1A1 2512/4885SMN1; SMN2 3606/4885NPC1 3248/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 ALDH1A1 2512/4885SMN1; SMN2 3606/4885NPC1 3248/4885

“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.