SCHEMBL2170778

SCHEMBL2170778

CC(C)(C)NC(=O)Oc1cccn2cc(C(F)(F)F)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.36
SSTR4 P31391 2/20 0.34
HDAC4 P56524 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HCRTR2 O43614 2/20 0.33
GUCY1B2 O75343 1/20 0.32
GUCY1A2 P33402 1/20 0.32
GUCY1A1 Q02108 1/20 0.32
GUCY1B1 Q02153 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
HTR1A P08908 2/20 0.32
DRD2 P14416 2/20 0.32
ALDH1A2 O94788 1/20 0.31

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
SCHEMBL2170163 0.81 ACKR3 (0.34) SSTR4HDAC4MAPTHCRTR2GUCY1B2
SCHEMBL2171037 0.76 PDE4B (0.42) FEN1MAPTKDM4ENPC1RAB9A
SCHEMBL2170782 0.75 POLB (0.43) NPC1RAB9ACYP1A2POLBCYP2C9
SCHEMBL14836967 0.74 SDHB (0.43) KDM4EHCRTR2TP53POLBALDH1A2
SCHEMBL3265976 0.70 DHODH (0.57) HDAC4MAPTKDM4EHCRTR2POLB
SCHEMBL24857447 0.69 CA2 (0.34) HDAC4KDM4ENPC1RAB9ANPSR1
SCHEMBL2173235 0.69 MAT2A (0.38) HDAC4MAPTKDM4ENPC1RAB9A
SCHEMBL20713184 0.69 NPC1 (0.53) MAPTKDM4ENPC1RAB9ANPSR1
SCHEMBL7991828 0.69 JAK2 (0.40) HDAC4KDM4ENPC1RAB9ANPSR1
SCHEMBL2315731 0.68 TSHR (0.45) MAPTKDM4EHCRTR2TP53CYP1A2

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 4 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
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

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 FEN1 1279/4885SSTR4 4056/4885HDAC4 226/4885
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE5A, PDE2A, PDE3A FEN1 1906/4885SSTR4 4197/4885HDAC4 681/4885

“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.