SCHEMBL2777187

SCHEMBL2777187

Nc1cc(Oc2ccc3c(c2)CCCN3C(=O)O)ncn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
PDK1 Q15118 5/20 0.41
PDK2 Q15119 5/20 0.41
PDK3 Q15120 5/20 0.41
PDK4 Q16654 5/20 0.41
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NOTUM Q6P988 1/20 0.38
KDR P35968 2/20 0.37
BRAF P15056 1/20 0.37
MAPK14 Q16539 1/20 0.37
TNNI3K Q59H18 1/20 0.37
ESR1 P03372 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL2777261 0.97 HSD17B10 (0.45) HSD17B10CA1CA2CA9CA14
SCHEMBL2777587 0.93 NOTUM (0.44) HSD17B10NOTUMKDRBRAFMAPK14
SCHEMBL2779000 0.84 HSD17B10 (0.43) HSD17B10CA1CA2CA9CA14
SCHEMBL2780386 0.84 KDR (0.49) HSD17B10KDM4EKDRBRAFMAPK14
SCHEMBL2776079 0.81 HSD17B10 (0.47) HSD17B10CA1CA2CA9CA14
SCHEMBL2778534 0.81 KDR (0.48) HSD17B10KDRBRAFMAPK14TNNI3K
SCHEMBL2779088 0.81 NOTUM (0.45) HSD17B10NOTUMCHRM1UCHL1OPRM1
SCHEMBL14351966 0.79 LOXL2 (0.47) HSD17B10NOTUMMAPTUCHL1OPRM1
SCHEMBL2706559 0.79 KDR (0.46) KDR
SCHEMBL12972237 0.79 KDR (0.62) KDRBRAFMAPK14TNNI3KMAPT

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 HSD17B10 2798/4885CA1 1364/4885CA2 1276/4885

“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.