SCHEMBL2779000

SCHEMBL2779000

O=C(O)N1CCCCc2cc(Oc3cc(Cl)ncn3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
KMO O15229 1/20 0.41
AVPR2 P30518 4/20 0.39
PDK1 Q15118 4/20 0.38
PDK2 Q15119 4/20 0.38
PDK3 Q15120 4/20 0.38
PDK4 Q16654 4/20 0.38
NOTUM Q6P988 1/20 0.38
ESR1 P03372 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
ADORA1 P30542 1/20 0.37
ADRA1A P35348 1/20 0.37
KMT2A Q03164 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
UCHL1 P09936 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36

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
SCHEMBL2779088 0.92 NOTUM (0.45) HSD17B10KMONOTUMCHRM1UCHL1
SCHEMBL2777261 0.88 HSD17B10 (0.45) HSD17B10KMOAVPR2PDK1PDK2
SCHEMBL2778534 0.85 KDR (0.48) HSD17B10
SCHEMBL2777187 0.84 HSD17B10 (0.48) HSD17B10KMOPDK1PDK2PDK3
SCHEMBL2780087 0.83 KMT2A (0.47) HSD17B10AVPR2PDK1PDK2PDK3
SCHEMBL2780386 0.82 KDR (0.49) HSD17B10KDM4E
SCHEMBL2777587 0.80 NOTUM (0.44) HSD17B10KMONOTUMUCHL1HRH3
SCHEMBL12972254 0.79 KDR (0.50)
SCHEMBL2777217 0.78 HSD17B10 (0.44) HSD17B10AVPR2PDK1PDK2PDK3
SCHEMBL14352215 0.78 HRH3 (0.40) HSD17B10NOTUMUCHL1HRH3KDM4E

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 2798/4885KMO 1980/4885AVPR2 4390/4885

“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.