SCHEMBL5090106

SCHEMBL5090106

O=C(NCc1cccc(C(F)(F)F)c1)c1ccc2cnccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.59
DHFR P00374 1/20 0.53
MLYCD O95822 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PLA2G1B P04054 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
ROCK2 O75116 1/20 0.52
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
SORT1 Q99523 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL5101888 0.86 HDAC1 (0.63) TRPV1ROCK2HDAC3HDAC1HDAC2
SCHEMBL5095434 0.83 MMP13 (0.58) MEN1KMT2AROCK2HDAC3HDAC1
SCHEMBL5101898 0.83 NPC1 (0.61) MEN1KMT2AGAAROCK2HDAC3
SCHEMBL5096066 0.83 HDAC3 (0.53) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL5090202 0.82 HDAC3 (0.63) ROCK2HDAC3HDAC1HDAC2HPGD
SCHEMBL5181198 0.81 TRPV1 (0.45) TRPV1DHFRMEN1KMT2AROCK2
SCHEMBL5095582 0.81 POLB (0.67) KMT2AHDAC3HDAC1HDAC2LMNA
SCHEMBL5096069 0.80 ROCK2 (0.59) MEN1KMT2ACYP3A4CYP2D6ROCK2
SCHEMBL14148032 0.79 TRPV1 (0.48) TRPV1
SCHEMBL5101919 0.79 HDAC3 (0.65) CYP1A2GAACYP2C19HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207677-A1 Napthyridine Compounds As Rock Inhibitors GPC BIOTECH AG (DE) 2008-08-28 US disclosed
EP-1833832-A1 NAPTHYRIDINE COMPOUNDS AS ROCK INHIBITORS GPC Biotech AG (DE) 2007-09-19 EP disclosed
WO-2007060028-A1 NAPTHYRIDINE COMPOUNDS AS ROCK INHIBITORS GPC BIOTECH AG (DE) 2007-05-31 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-20080207677-A1 Napthyridine Compounds As Rock Inhibitors ROCK2, ROCK1, RHOT2 TRPV1 1090/4885DHFR 2184/4885MLYCD 3443/4885

“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.