SCHEMBL445955

SCHEMBL445955

CCOC(=O)c1cnc(SC)nc1NCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
RAB9A P51151 3/20 0.63
NPSR1 Q6W5P4 2/20 0.63
MAPT P10636 6/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
POLB P06746 2/20 0.61
MAPK1 P28482 2/20 0.61
HTT P42858 2/20 0.61
LMNA P02545 2/20 0.61
HSD17B10 Q99714 2/20 0.61
TSHR P16473 2/20 0.61
MEN1 O00255 1/20 0.61
TP53 P04637 1/20 0.61
ALOX15 P16050 1/20 0.61
PPP1CA P62136 1/20 0.61
KMT2A Q03164 1/20 0.61
TDP1 Q9NUW8 1/20 0.60
SYK P43405 2/20 0.60
KDM4E B2RXH2 1/20 0.54
NFKB1 P19838 2/20 0.54

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
SCHEMBL14913891 0.89 ALDH1A1 (0.61) ALDH1A1RAB9ANPSR1MAPTSMN1; SMN2
SCHEMBL4712695 0.88 ALDH1A1 (0.65) ALDH1A1RAB9ANPSR1MAPTSMN1; SMN2
SCHEMBL17013516 0.86 ALDH1A1 (0.62) ALDH1A1RAB9ANPSR1MAPTSMN1; SMN2
SCHEMBL1522370 0.86 PPARG (0.62) SMN1; SMN2HTTHSD17B10KDM4EPPARG
SCHEMBL28518879 0.85 SMN1; SMN2 (0.58) ALDH1A1RAB9ANPSR1MAPTSMN1; SMN2
SCHEMBL16274792 0.84 ALDH1A1 (0.60) ALDH1A1RAB9ANPSR1MAPTSMN1; SMN2
SCHEMBL1521580 0.84 ALDH1A1 (0.76) ALDH1A1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL34462345 0.84 NPSR1 (0.65) ALDH1A1RAB9ANPSR1MAPTSMN1; SMN2
SCHEMBL1313596 0.84 SYK (0.79) ALDH1A1RAB9ANPSR1MAPTSMN1; SMN2
SCHEMBL12904539 0.83 STAT6 (0.58) SYKPPARG

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 33 patents — showing the first 20. 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-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 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-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-8058445-B2 Substituted pyridinecarboxamides for the treatment of cancer AMGEN INC. (US) 2011-11-15 US disclosed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US disclosed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US disclosed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 US disclosed
US-20040097492-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-20 US disclosed
US-20040087577-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-06 US disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 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 (10 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-20040097492-A1 Anti-infective agents POLR1C, RPL5, POLB ALDH1A1 1434/4885RAB9A 2572/4885NPSR1 4323/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC ALDH1A1 389/4885RAB9A 2919/4885NPSR1 1840/4885
US-20130137673-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 ALDH1A1 2512/4885RAB9A 2232/4885NPSR1 3747/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO ALDH1A1 261/4885RAB9A 3627/4885NPSR1 2720/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO ALDH1A1 327/4885RAB9A 3440/4885NPSR1 2570/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB ALDH1A1 1434/4885RAB9A 2572/4885NPSR1 4323/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 ALDH1A1 891/4885RAB9A 2546/4885NPSR1 4037/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT ALDH1A1 1592/4885RAB9A 2459/4885NPSR1 4146/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB ALDH1A1 1434/4885RAB9A 2572/4885NPSR1 4323/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO ALDH1A1 327/4885RAB9A 3440/4885NPSR1 2570/4885

“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.