SCHEMBL2170782

SCHEMBL2170782

CC(C)(C)OC(=O)Nc1cccn2cc(C(F)(F)F)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39
METAP1 P53582 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
P2RX7 Q99572 1/20 0.37
KMT2A Q03164 2/20 0.36
BRD4 O60885 2/20 0.35
ELANE P08246 1/20 0.35
CNR2 P34972 1/20 0.35
TTK P33981 1/20 0.35
IDO1 P14902 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL8867105 0.76 ALDH1A1 (0.52) BRD9KMT2AMEN1NPC1GAA
SCHEMBL2173235 0.76 MAT2A (0.38) POLBCYP1A2CYP2C9KMT2AMEN1
Bromide SCHEMBL8866415 0.75 ALDH1A1 (0.51) BRD9KMT2AMEN1NPC1GAA
SCHEMBL9081089 0.75 KMT2A (0.46) POLBLMNATLR8TLR7P2RX7
SCHEMBL2170778 0.75 FEN1 (0.36) POLBCYP1A2CYP2C9NPC1RAB9A
SCHEMBL8866739 0.74 SMN1; SMN2 (0.45) POLBLMNABRD9CNR2NPC1
Bromide SCHEMBL8866251 0.74 SMN1; SMN2 (0.45) POLBLMNABRD9CNR2NPC1
SCHEMBL23458902 0.71 IDO1 (0.59) POLBLMNARXFP1BRD9GPR139
SCHEMBL2880191 0.70 LMNA (0.54) POLBLMNARXFP1BRD9METAP1
SCHEMBL24857447 0.70 CA2 (0.34) CYP1A2NPC1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-09-15 US disclosed
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-09-15 US disclosed
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-09-15 US disclosed
EP-2351748-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-08-03 EP disclosed
EP-2348018-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-07-27 EP disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US disclosed
WO-2010035745-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2010-04-01 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 (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-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE3A, PDE2A, PDE3B POLB 1744/4885LMNA 2863/4885RXFP1 2669/4885
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE5A, PDE2A, PDE3A POLB 1673/4885LMNA 3682/4885RXFP1 1555/4885

“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.