SCHEMBL3668196

SCHEMBL3668196

COc1ccc(N)c(C(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
KDM4E B2RXH2 2/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE10A Q9Y233 4/20 0.37
PDE2A O00408 3/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
NNMT P40261 1/20 0.36
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35

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
SCHEMBL21859884 0.78 HTT (0.44) TSHRKDM4EXBP1NPSR1HTT
SCHEMBL21055249 0.77 TSHR (0.39) TSHRKDM4EXBP1NPSR1HTT
SCHEMBL5391265 0.77 TSHR (0.39) TSHRKDM4EXBP1NPSR1HTT
SCHEMBL21859496 0.76 TSHR (0.38) TSHRKDM4EXBP1NPSR1HTT
SCHEMBL21055330 0.74 TSHR (0.37) TSHRKDM4EXBP1NPSR1HTT
SCHEMBL21859512 0.74 PDE10A (0.41) TSHRKDM4EXBP1NPSR1PDE10A
SCHEMBL21725475 0.74 TSHR (0.37) TSHRKDM4EXBP1NPSR1HTT
SCHEMBL3543895 0.74 NNMT (0.61) KDM4EPDE10AGAANNMT
SCHEMBL31709840 0.74 KDM4E (0.33) KDM4EHTTHSD17B10GAA
SCHEMBL14938661 0.74 HSP90AA1 (0.39) TSHRKDM4EHTTHSD17B10GAA

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-2776445-B1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-08-10 EP disclosed
US-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 US disclosed
US-8901141-B2 Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2014-10-23 US disclosed
EP-2240485-B1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL (JP) 2014-10-15 EP disclosed
US-8785460-B2 Tricyclic compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-25 US disclosed
EP-2240485-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Pharmaceutical Company Limited (JP) 2010-10-20 EP disclosed
WO-2009093747-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-30 WO disclosed
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 US disclosed
US-7250418-B2 Compounds as CRF1 receptor antagonists PFIZER INC (US) 2007-07-31 US disclosed
US-7250418-B2 Compounds as CRF1 receptor antagonists PFIZER INC (US) 2007-07-31 US disclosed
US-7250418-B2 Compounds as CRF1 receptor antagonists PFIZER INC (US) 2007-07-31 US disclosed
EP-1583531-B1 HETEROARYL-SUBSTITUTED PYRROLO[2, 3- B]PYRIDINE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS SB PHARMCO INC (US) 2007-04-18 EP disclosed
US-20070066640-A1 Heteroaryl-substituted pyrrolo'2,3-b1 pyridine derivatives as crf receptor antagonists SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2007-03-22 US disclosed
EP-1625125-A1 COMPOUNDS AS CRF1 RECEPTOR ANTAGONISTS Pharmacia & Upjohn Company LLC (US) 2006-02-15 EP disclosed
EP-1583531-A1 HETEROARYL- SUBSTITUTED PYRROLO' 2, 3- B! PYRIDINE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS SB Pharmco Puerto Rico Inc (US) 2005-10-12 EP disclosed
US-20050038040-A1 Compounds as CRF1 receptor antagonists PFIZER INC 2005-02-17 US disclosed
WO-2004099201-A1 COMPOUNDS AS CRF1 RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-11-18 WO disclosed
WO-2004062665-A1 HETEROARYL- SUBSTITUTED PYRROLO` 2, 3- B! PYRIDINE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS SB PHARMCO PUERTO RICO INC (US) 2004-07-29 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 (5 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-20070066640-A1 Heteroaryl-substituted pyrrolo'2,3-b1 pyridine derivatives as crf receptor antagonists CRHR1, CRHR2, CRH TSHR 271/4885KDM4E 4352/4885XBP1 3169/4885
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives TPMT, IFNG, IRF3 TSHR 2062/4885KDM4E 1652/4885XBP1 581/4885
US-20050038040-A1 Compounds as CRF1 receptor antagonists CRHR1, CRHR2, CRH TSHR 409/4885KDM4E 4497/4885XBP1 1648/4885
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF CRHR1, CRHR2, HCRTR1 TSHR 145/4885KDM4E 2435/4885XBP1 1792/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 TSHR 62/4885KDM4E 3544/4885XBP1 962/4885

“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.