SCHEMBL913700

SCHEMBL913700

CCOC(=O)c1cnc(SC)nc1NC1(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.58
▸ MAPT P10636 6/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ TDP1 Q9NUW8 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ SYK P43405 2/20 0.56
▸ MAPK1 P28482 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ LMNA P02545 2/20 0.53
▸ NFKB1 P19838 3/20 0.51
▸ NFKB2 Q00653 3/20 0.51
▸ RELA Q04206 3/20 0.51
▸ FOS P01100 2/20 0.51
▸ JUN P05412 2/20 0.51
▸ HPGD P15428 2/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.46
▸ RAB9A P51151 4/20 0.45
▸ NPC1 O15118 3/20 0.45

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
SCHEMBL912387 0.86 VNN1 (0.44) ALDH1A1MAPTSMN1; SMN2TDP1POLB
SCHEMBL913766 0.84 VNN1 (0.43) ALDH1A1MAPTSMN1; SMN2TDP1POLB
SCHEMBL1313596 0.80 SYK (0.79) ALDH1A1MAPTSMN1; SMN2TDP1POLB
SCHEMBL445955 0.78 ALDH1A1 (0.65) ALDH1A1MAPTSMN1; SMN2TDP1POLB
SCHEMBL14657056 0.78 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2TDP1POLB
SCHEMBL22171343 0.78 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2TDP1POLB
SCHEMBL31668760 0.78 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2TDP1POLB
SCHEMBL1521842 0.77 ALDH1A1 (0.70) ALDH1A1MAPTSMN1; SMN2TDP1POLB
SCHEMBL29545771 0.77 ALDH1A1 (0.70) ALDH1A1MAPTSMN1; SMN2TDP1POLB
SCHEMBL6632274 0.77 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2TDP1POLB

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 13 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-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 — — US disclosed
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-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 — — 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-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 — — 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
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 — — 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 2512/4885MAPT 246/4885SMN1; SMN2 3606/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 ALDH1A1 2512/4885MAPT 246/4885SMN1; SMN2 3606/4885

“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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