SCHEMBL2780087

SCHEMBL2780087

Nc1nc(Cl)cc(Oc2ccc3c(c2)CCCCN3C(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GPR119 Q8TDV5 4/20 0.40
AVPR2 P30518 3/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 2/20 0.37
PDK1 Q15118 2/20 0.36
PDK2 Q15119 2/20 0.36
PDK3 Q15120 2/20 0.36
PDK4 Q16654 2/20 0.36
ESR1 P03372 1/20 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
SCHEMBL2778875 0.92 MEN1 (0.50) KMT2AMEN1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL2777217 0.85 HSD17B10 (0.44) HSD17B10AVPR2CA1CA2CA9
SCHEMBL2779000 0.83 HSD17B10 (0.43) KMT2AALDH1A1HSD17B10AVPR2CA1
SCHEMBL2776079 0.82 HSD17B10 (0.47) ALDH1A1HSD17B10CA1CA2CA9
SCHEMBL12972249 0.80 KDR (0.58) SMN1; SMN2ALDH1A1KDR
SCHEMBL2777261 0.80 HSD17B10 (0.45) KMT2AHSD17B10AVPR2CA1CA2
SCHEMBL2781030 0.77 NOTUM (0.43) HSD17B10NOTUMKDR
SCHEMBL2707864 0.76 MEN1 (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL2777187 0.76 HSD17B10 (0.48) KMT2AHSD17B10CA1CA2CA9
SCHEMBL2779088 0.74 NOTUM (0.45) HSD17B10GPR119CHRM1NOTUM

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 KMT2A 2383/4885MEN1 3239/4885SMN1; SMN2 2931/4885

“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.