SCHEMBL4772509

SCHEMBL4772509

COC(=O)Cc1c(Cl)nc(C)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
GAA P10253 4/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 5/20 0.39
KDM5B Q9UGL1 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
USP2 O75604 1/20 0.37
HSD17B10 Q99714 2/20 0.37
ALKBH3 Q96Q83 1/20 0.36
EGFR P00533 2/20 0.36
HSP90AB1 P08238 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL8707599 0.88 TSHR (0.39) TSHRGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL7484744 0.87 TSHR (0.37) TSHRGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL28460443 0.86 ALDH1A1 (0.38) TSHRGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL7481761 0.85 TSHR (0.38) TSHRGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL5844147 0.83 MAPK1 (0.46) TSHRGAAALDH1A1MAPTMEN1
SCHEMBL1226544 0.80 KDM4E (0.43) TSHRGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL8703625 0.78 TSHR (0.44) TSHRGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL3420317 0.78 AKR1B1 (0.42) GAAALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2062770 0.77 ALDH1A1 (0.42) GAAALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL28798757 0.76 HTT (0.42) ALDH1A1POLBRAB9AHTTL3MBTL1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462622-B2 Pyrrolo[2, 3-d] pyrimidine derivatives as corticotropin releasing factor antagonists GLAXO GROUP LIMITED (GB) 2008-12-09 US disclosed
US-7446108-B2 Tri-and tetraaza-acenaphthylen derivatives as CRF receptor antagonists NEUROCRINE, INC. (US) 2008-11-04 US disclosed
EP-1395591-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2008-06-04 EP disclosed
EP-1383747-B1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LTD (GB) 2008-02-20 EP disclosed
US-7329667-B2 A hexahydro-1,5,6,8-tetraaza-acenaphthylene or -1,3,4-triazaphenalene derivatives; treatment of depression and anxiety; inflammatory bowel disease; treatment of conditions mediated by corticotropin-releasing factor GLAXO GROUP LIMITED (GB) 2008-02-12 US disclosed
US-7279474-B2 Substituted pyrrolo[2,3-d]pyrimidines as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LIMITED (GB) 2007-10-09 US disclosed
EP-1392689-B1 TRI- AND TETRAAZA-ACENAPHTHYLEN DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES INC (US) 2006-10-25 EP disclosed
EP-1383498-B1 CRF RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2006-03-15 EP disclosed
US-20040235871-A1 Crf receptor antagonists GLAXO GROUP LIMITED (GB) 2004-11-25 US disclosed
US-20040198726-A1 Tri-and tetraaza-acenaphthylen derivatives as crf receptor antagonists SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2004-10-07 US disclosed
EP-1392689-A1 TRI- AND TETRAAZA-ACENAPHTHYLEN DERIVATIVES AS CRF RECEPTOR ANTAGONISTS Neurocrine Biosciences, Inc. (US) 2004-03-03 EP disclosed
EP-1383747-A1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LIMITED (GB) 2004-01-28 EP disclosed
WO-2002100863-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-12-19 WO disclosed
WO-2002094826-A1 TRI-AND TETRAAZA-ACENAPHTHYLEN DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES INC. (US) 2002-11-28 WO disclosed
WO-2002088095-A1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LIMITED (GB) 2002-11-07 WO disclosed
US-5783580-A FUNGICIDES SANDOZ, LTD. (CH) 1998-07-21 US disclosed
US-5776941-A FUNGICIDES SANDOZ LTD (CH) 1998-07-07 US disclosed
EP-0731095-A1 4-Alkylthio-pyrimidin-5-ylacetic acid derivatives SANDOZ LTD. (CH) 1996-09-11 EP disclosed
US-5547919-A CONTROLLING PHYTOPATHOGENIC FUNGI SANDOZ LTD. (CH) 1996-08-20 US disclosed
EP-0667343-A1 Alpha-pyrimidinyl acrylic acid derivatives with fungicidal activity SANDOZ LTD. (CH) 1995-08-16 EP 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-20040235871-A1 Crf receptor antagonists CRHR1, CRHR2, CRH TSHR 143/4885GAA 4491/4885ALDH1A1 3620/4885
US-20040198726-A1 Tri-and tetraaza-acenaphthylen derivatives as crf receptor antagonists CRHR1, AGTR1, NPY1R TSHR 64/4885GAA 1171/4885ALDH1A1 1258/4885

“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.