SCHEMBL2776544

SCHEMBL2776544

CNc1cc(Oc2ccc3ncccc3c2)ncn1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.50
TNNI3K Q59H18 5/20 0.50
ALDH1A1 P00352 1/20 0.50
BRAF P15056 2/20 0.47
RAF1 P04049 5/20 0.47
MAP2K7 O14733 5/20 0.46
TRPV1 Q8NER1 1/20 0.44
MAPK14 Q16539 3/20 0.43

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
SCHEMBL4912985 0.85 KDR (0.59) KDRTNNI3KBRAFRAF1MAP2K7
SCHEMBL2780055 0.80 ALDH1A1 (0.50) KDRALDH1A1BRAFTRPV1
SCHEMBL17164822 0.76 NPC1 (0.61) KDRALDH1A1BRAF
SCHEMBL22592313 0.74 KDR (0.67) KDRTNNI3KBRAFRAF1MAP2K7
SCHEMBL2778530 0.74 KDR (0.47) KDRTNNI3KBRAFRAF1MAP2K7
SCHEMBL3872895 0.73 ALDH1A1 (0.47) KDRALDH1A1BRAFTRPV1
SCHEMBL2434197 0.73 KDR (0.70) KDRTNNI3KBRAFRAF1MAP2K7
SCHEMBL3177337 0.73 KDR (0.58) KDRTNNI3KBRAFRAF1MAP2K7
SCHEMBL31118855 0.72 ALDH1A1 (0.50) KDRALDH1A1BRAFTRPV1
SCHEMBL5553606 0.72 ALDH1A1 (0.61) KDRALDH1A1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855215-B2 Cyclic diaryl ureas suitable as tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-12-21 US disclosed
US-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors BOLD GUIDO 2008-02-14 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 (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-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors RET, ROS1, BRAF KDR 479/4885TNNI3K 270/4885ALDH1A1 2149/4885

“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.