SCHEMBL16076004

SCHEMBL16076004

Cc1cc(N)nc(C)c1Oc1ccnc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.38
NOS3 P29474 4/20 0.36
NOS1 P29475 4/20 0.36
NOS2 P35228 4/20 0.36
PRMT5 O14744 1/20 0.35
SCN5A Q14524 2/20 0.34
KDM4E B2RXH2 3/20 0.33
POLB P06746 1/20 0.33
LOX P28300 1/20 0.33
LOXL3 P58215 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
DRD1 P21728 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BACE1 P56817 1/20 0.31
S1PR1 P21453 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL16058868 0.83 SCN9A (0.31) SCN9AS1PR1PPARG
SCHEMBL16187041 0.82 KDM4E (0.39) SCN9ANOS3NOS1NOS2SCN5A
SCHEMBL16028424 0.78 SCN9A (0.43) SCN9ANOS3NOS1NOS2SCN5A
SCHEMBL16028695 0.78 PIN1 (0.33) KDM4EPOLBMEN1KMT2APPARG
SCHEMBL6232217 0.76 POLB (0.37) SCN9AKDM4EPOLBLOXLOXL3
SCHEMBL16058889 0.76 GRM5 (0.39) POLB
SCHEMBL2416283 0.75 NOS3 (0.41) SCN9ANOS3NOS1NOS2SCN5A
SCHEMBL190684 0.75 HSP90AA1 (0.41) KDM4ELOXLOXL3LOXL2MEN1
SCHEMBL16088375 0.74 AAK1 (0.42)
SCHEMBL16028119 0.73 CSF1R (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046619-A1 IMIDAZOLIDINONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS LLC (US) 2016-02-18 US disclosed
US-9193719-B2 1,2,4-triazol-5-ones and analogs exhibiting anti-cancer and anti-proliferative activities DECIPHERA PHARMACEUTICALS, LLC (US) 2015-11-24 US disclosed
US-9181223-B2 2-aminopyrimidin-6-ones and analogs exhibiting anti-cancer and anti-proliferative activities DECIPHERA PHARMACEUTICALS, LLC (US) 2015-11-10 US disclosed
US-9133183-B2 Imidazolidinones and analogs exhibiting anti-cancer and anti-proliferative activities DECIPHERA PHARMACEUTICALS, LLC (US) 2015-09-15 US disclosed
US-20140315917-A1 IMIDAZOLIDINONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2014-10-23 US disclosed
US-20140296252-A1 1,2,4-TRIAZOL-5-ONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2014-10-02 US disclosed
US-20140275085-A1 2-AMINOPYRIMIDIN-6-ONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2014-09-18 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 (4 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-20160046619-A1 IMIDAZOLIDINONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES CSF1R, KIT, CSF3R SCN9A 3300/4885NOS3 1120/4885NOS1 684/4885
US-20140315917-A1 IMIDAZOLIDINONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES CSF1R, KIT, CSF3R SCN9A 3300/4885NOS3 1120/4885NOS1 684/4885
US-20140296252-A1 1,2,4-TRIAZOL-5-ONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES KIT, CSF1R, CSF3R SCN9A 3658/4885NOS3 1065/4885NOS1 859/4885
US-20140275085-A1 2-AMINOPYRIMIDIN-6-ONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES CSF1R, KIT, CSF3R SCN9A 3776/4885NOS3 1571/4885NOS1 1259/4885

“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.