SCHEMBL2981886

SCHEMBL2981886

Fc1ccc(Nc2nccs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
GAA P10253 2/20 0.61
NFKB1 P19838 1/20 0.61
AGTR1 P30556 1/20 0.61
HTT P42858 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
CYP1A1 P04798 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP1B1 Q16678 1/20 0.60
SYK P43405 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PLA2G7 Q13093 1/20 0.50
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL899534 0.81 SMN1; SMN2 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL5762561 0.81 PLA2G7 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL3053636 0.81 SYK (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL14881017 0.81 MEN1 (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL1091636 0.81 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL722560 0.80 RAB9A (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL17397927 0.80 PLA2G7 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
Bromide SCHEMBL2363119 0.79 SYK (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
Hydrochloric Acid SCHEMBL6833454 0.78 RAB9A (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
Bromide SCHEMBL7502411 0.78 RAB9A (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1353676-A4 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS ALTEON INC (US) 2006-05-31 EP claimed
EP-1353676-A1 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS Alteon, Inc. (US) 2003-10-22 EP claimed
WO-2002053161-A1 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS ALTEON, INC. (US) 2002-07-11 WO claimed
EP-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
CN-101115749-B Aminopyrimidine compounds and methods of use AMGEN INC 2011-06-22 CN disclosed
US-7858785-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US disclosed
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-01-14 US disclosed
CN-101273023-A 5-substituted thiazol-2-ylamino compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-09-24 CN disclosed
US-20080227783-A1 5-Substituted Thiazol-2-Yl Amino Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-18 US disclosed
US-20080227783-A1 5-Substituted Thiazol-2-Yl Amino Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-18 US disclosed
US-20080227783-A1 5-Substituted Thiazol-2-Yl Amino Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-18 US disclosed
EP-1912959-A2 5-SUBSTITUTED THIAZOL-2-YL AMINO COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-23 EP disclosed
CN-101115749-A Aminopyrimidine compounds and methods of use AMGEN INC (US) 2008-01-30 CN disclosed
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US disclosed
WO-2007016228-A2 5-SUBSTITUTED THIAZOL-2-YL AMINO COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-08 WO disclosed
WO-2007016228-A2 5-SUBSTITUTED THIAZOL-2-YL AMINO COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-08 WO disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO disclosed
WO-2006060654-A2 PESTICIDAL COMPOSITIONS AND METHODS DIVERGENCE, INC. (US) 2006-06-08 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 (3 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-20080227783-A1 5-Substituted Thiazol-2-Yl Amino Compounds and Compositions as Protein Kinase Inhibitors BMX, CDK1, CKS1B ALDH1A1 2481/4885NPC1 4134/4885RAB9A 4092/4885
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PLK1, TYMP, TK2 ALDH1A1 1565/4885NPC1 3409/4885RAB9A 3433/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 ALDH1A1 1565/4885NPC1 3409/4885RAB9A 3433/4885

“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.