SCHEMBL2449358

SCHEMBL2449358

C[C@H]1C[C@@H](c2nc(-c3ccc(-c4ccc(Br)cc4)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
KCNK3 O14649 3/20 0.37
KCNK9 Q9NPC2 3/20 0.37
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
KMT2A Q03164 2/20 0.35
USP30 Q70CQ3 1/20 0.34
HTT P42858 1/20 0.34
UCHL1 P09936 1/20 0.34
RORC P51449 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
MCL1 Q07820 1/20 0.33
PARP1 P09874 1/20 0.33
SETD7 Q8WTS6 1/20 0.33
AURKA O14965 1/20 0.33
PDPK1 O15530 1/20 0.33
AURKB Q96GD4 1/20 0.33
HSD11B1 P28845 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL14915403 0.99 ABL1 (0.38) ABL1BCRKCNK3KCNK9NR1H2
SCHEMBL14914689 0.99 ABL1 (0.38) ABL1BCRKCNK3KCNK9NR1H2
SCHEMBL15773761 0.99 ABL1 (0.38) ABL1BCRKCNK3KCNK9NR1H2
SCHEMBL17249890 0.92 USP30 (0.36) ABL1BCRKCNK3KCNK9NR1H2
SCHEMBL1294043 0.90 HTT (0.38) NR1H2NR1H3KMT2AUSP30HTT
SCHEMBL1293926 0.90 HTT (0.38) NR1H2NR1H3KMT2AUSP30HTT
SCHEMBL17973122 0.90 CYP1A2 (0.36) KMT2AHTTUCHL1GPR119PARP1
SCHEMBL17973121 0.90 CYP1A2 (0.36) KMT2AHTTUCHL1GPR119PARP1
SCHEMBL14844703 0.89 UCHL1 (0.34) ABL1BCRUSP30HTTUCHL1
SCHEMBL14844685 0.89 UCHL1 (0.34) ABL1BCRUSP30HTTUCHL1

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
US-8779156-B2 Analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-15 US disclosed
US-8779156-B2 Analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-15 US disclosed
US-8779156-B2 Analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-15 US disclosed
US-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
US-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
US-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
EP-2550267-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-01-30 EP disclosed
WO-2011119853-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-29 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 (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-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BLVRB, RRP1B, C1QBP ABL1 351/4885BCR 2031/4885KCNK3 3493/4885

“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.