SCHEMBL461441

SCHEMBL461441

Cc1nnc(-c2ccc(C(=O)Cl)cc2)o1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
GPR84 Q9NQS5 1/20 0.48
MAPK14 Q16539 9/20 0.46
MAPK11 Q15759 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAP2K1 Q02750 1/20 0.43
PRMT5 O14744 2/20 0.43
GPR119 Q8TDV5 1/20 0.43
DGAT1 O75907 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ADCY1 Q08828 1/20 0.43
MYC P01106 1/20 0.42

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
SCHEMBL11524472 0.86 RAB9A (0.58) NPC1RAB9AHDAC6KDM4EADCY1
SCHEMBL4860601 0.85 MAPK14 (0.65) MAPK14MAPK11MAP2K1
SCHEMBL24340789 0.84 KDM4E (0.54) NPC1RAB9AGPR84MAPK14MAPK11
SCHEMBL70030 0.84 NPC1 (0.69) NPC1RAB9AGPR84MAPK14HDAC6
SCHEMBL4860460 0.83 MAPK14 (0.63) MAPK14MAPK11MAP2K1
SCHEMBL6806724 0.83 NPC1 (0.67) NPC1RAB9AGPR84MAPK14HDAC6
SCHEMBL14804393 0.81 NPC1 (0.56) NPC1RAB9AGPR84KDM4E
SCHEMBL11528501 0.81 NPC1 (0.48) NPC1RAB9AMAPK14KDM4EMYC
SCHEMBL11527491 0.81 NPC1 (0.74) NPC1RAB9AHDAC6KDM4E
SCHEMBL69515 0.80 MAPT (0.54) NPC1RAB9AMAPK14PRMT5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614052-B1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2014-12-31 EP disclosed
EP-2614052-B1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2014-12-31 EP disclosed
EP-2614052-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS Bristol-Myers Squibb Company (US) 2013-07-17 EP disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed
US-4159985-A Heterocyclic phenyl ester ultraviolet stabilizers EASTMAN KODAK COMPANY (US) 1979-07-03 US disclosed
US-4140674-A FOR POLYMERS EASTMAN KODAK COMPANY (US) 1979-02-20 US disclosed
US-4020080-A Oxadiazolylphenyl aromatic ester compounds and their use as ultraviolet stabilizer in organic compositions EASTMAN KODAK COMPANY (US) 1977-04-26 US 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-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, HCRTR1 NPC1 912/4885RAB9A 2247/4885GPR84 1278/4885

“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.