SCHEMBL2776882

SCHEMBL2776882

Nc1nc(Cl)cc(Oc2ccc3ncccc3c2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 3/20 0.50
ALOX5 P09917 1/20 0.48
MAPT P10636 2/20 0.46
ATM Q13315 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP3A4 P08684 1/20 0.46
PPARG P37231 1/20 0.46
KDR P35968 4/20 0.44
CASP6 P55212 1/20 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
SCHEMBL16431083 0.82 MEN1 (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL2780055 0.81 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL6644126 0.77 NPC1 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL17164822 0.77 NPC1 (0.61) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL1122325 0.77 BRAF (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL31118855 0.76 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL27260357 0.76 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL9800721 0.75 ALDH1A1 (0.66) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL23063015 0.75 PPARG (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL29612552 0.75 PPARG (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A

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-7855215-B2 Cyclic diaryl ureas suitable as tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-12-21 US disclosed
US-7855215-B2 Cyclic diaryl ureas suitable as tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-12-21 US disclosed
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
US-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors BOLD GUIDO 2008-02-14 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 MEN1 3239/4885KMT2A 2383/4885SMN1; 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.