SCHEMBL666992

SCHEMBL666992

CNC(=O)C#Cc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.49
GFER P55789 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
FFAR1 O14842 1/20 0.42
GPR183 P32249 4/20 0.40
EGLN1 Q9GZT9 2/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
PLOD2 O00469 1/20 0.38
GRM5 P41594 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
NLRP3 Q96P20 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6250333 0.84 GPR183 (0.43) APPGFERRAB9ANPC1GPR183
SCHEMBL6254331 0.83 KMT2A (0.43) APPGFERGPR183KMT2AALDH1A1
SCHEMBL6563230 0.80 ALDH1A1 (0.43) GPR183EGLN1ALDH1A1
SCHEMBL4554708 0.80 NPSR1 (0.55) APPGFERRAB9ANPC1GRM5
SCHEMBL667669 0.79 GFER (0.57) GFERGRM5
SCHEMBL6561789 0.78 NPC1 (0.60) APPRAB9ANPC1MEN1KMT2A
SCHEMBL22905187 0.78 APP (0.53) APPRAB9ANPC1FFAR1GPR183
SCHEMBL16139302 0.78 ALDH1A1 (0.51) APPGFERFFAR1ALDH1A1HPGD
SCHEMBL124923 0.77 APP (0.49) APPGFERRAB9ANPC1FFAR1
SCHEMBL8022190 0.77 PTPN11 (0.53) APPRAB9ANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539340-B1 PYRAZOLOPYRIDAZINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-08-27 EP disclosed
EP-2539340-B1 PYRAZOLOPYRIDAZINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-08-27 EP disclosed
EP-2539340-A1 PYRAZOLOPYRIDAZINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-02 EP disclosed
US-8324212-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-8324212-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-20120046294-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-02-23 US disclosed
US-20120046294-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-02-23 US disclosed
WO-2011106340-A1 PYRAZOLOPYRIDAZINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-01 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 (1 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-20120046294-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 APP 4877/4885GFER 2293/4885RAB9A 2224/4885

“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.