SCHEMBL4547393

SCHEMBL4547393

[C-]#[N+]c1cc(Oc2ccc3nc(NCC4CCCCC4)oc3c2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.41
BRAF P15056 3/20 0.41
CTSS P25774 4/20 0.34
CTSL P07711 3/20 0.34
F2RL3 Q96RI0 1/20 0.34
EGLN1 Q9GZT9 2/20 0.33
UTS2R Q9UKP6 1/20 0.32
KDR P35968 4/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ASPH Q12797 1/20 0.31
KDM8 Q8N371 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 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
SCHEMBL2676138 0.83 RAF1 (0.41) RAF1BRAFCTSSCTSLF2RL3
SCHEMBL2677511 0.83 RAF1 (0.41) RAF1BRAFCTSSCTSLF2RL3
SCHEMBL2676026 0.83 RAF1 (0.43) RAF1BRAFCTSSCTSLF2RL3
SCHEMBL13811335 0.82 RAF1 (0.41) RAF1BRAFCTSSCTSLF2RL3
SCHEMBL2677474 0.82 RAF1 (0.43) RAF1BRAFCTSSCTSLF2RL3
SCHEMBL2675869 0.82 RAF1 (0.52) RAF1BRAFEGLN1KDRASPH
SCHEMBL14396932 0.81 RAF1 (0.47) RAF1BRAFKDRLCKCSF1R
SCHEMBL2675898 0.81 RAF1 (0.54) RAF1BRAFKDRLCKCSF1R
SCHEMBL2675473 0.80 RAF1 (0.55) RAF1BRAFKDRCSF1RKIT
SCHEMBL2677337 0.79 RAF1 (0.66) RAF1BRAFKDRLCKCSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710048-B2 6-O-substituted benzoxazole and benzothiazole compounds and methods of inhibiting CSF-1R signaling NOVARTIS AG (CH) 2014-04-29 US disclosed
US-20120225861-A1 6-O-Substituted Benzoxazole and Benzothiazole Compounds and Methods of Inhibiting CSF-1R Signaling NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-09-06 US disclosed
US-8173689-B2 6-O-substituted benzoxazole and benzothiazole compounds and methods of inhibiting CSF-1R signaling NOVARTIS AG (CH) 2012-05-08 US disclosed
US-20100280006-A1 6-O-substituted benzoxazole and benzothiazole compounds and methods of inhibiting CSF-1R signaling NOVARTIS AG (CH) 2010-11-04 US disclosed
US-7553854-B2 6-O-substituted benzoxazole and benzothiazole compounds and methods of inhibiting CSF-1R signaling NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-06-30 US disclosed
US-20080045528-A1 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING NOVARTIS AG 2008-02-21 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 (3 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-20120225861-A1 6-O-Substituted Benzoxazole and Benzothiazole Compounds and Methods of Inhibiting CSF-1R Signaling CSF1R, CSF3R, FLT3 RAF1 750/4885BRAF 217/4885CTSS 783/4885
US-20100280006-A1 6-O-substituted benzoxazole and benzothiazole compounds and methods of inhibiting CSF-1R signaling CSF1R, CSF3R, FLT3 RAF1 750/4885BRAF 217/4885CTSS 783/4885
US-20080045528-A1 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING CSF1R, CSF3R, FLT3 RAF1 750/4885BRAF 217/4885CTSS 783/4885

“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.