SCHEMBL22308388

SCHEMBL22308388

O=C(NCc1cn(Cc2cccnc2)nn1)c1n[nH]c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
MAPK10 P53779 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ITK Q08881 6/20 0.52
GUSB P08236 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
GAA P10253 2/20 0.45
WNT1 P04628 1/20 0.45
DYRK1A Q13627 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AURKA O14965 1/20 0.45
METTL3 Q86U44 1/20 0.45
MAPK1 P28482 1/20 0.44
HDAC3 O15379 1/20 0.44
NCOR1 O75376 1/20 0.44

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
SCHEMBL22308390 0.90 KDM4E (0.57) KDM4EMAPK10HSD17B10ITKSMN1; SMN2
SCHEMBL22308394 0.89 KDM4E (0.61) KDM4EMAPK10HSD17B10ITKSMN1; SMN2
SCHEMBL22307975 0.89 KDM4E (0.58) KDM4EMAPK10HSD17B10ITKSMN1; SMN2
SCHEMBL22307956 0.86 KDM4E (0.64) KDM4EMAPK10HSD17B10ITKSMN1; SMN2
SCHEMBL954666 0.84 KDM4E (0.64) KDM4EMAPK10HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL22307981 0.84 KDM4E (0.63) KDM4EMAPK10HSD17B10ITKSMN1; SMN2
SCHEMBL22308392 0.84 KDM4E (0.76) KDM4EMAPK10HSD17B10ITKSMN1; SMN2
SCHEMBL22307946 0.84 KDM4E (0.69) KDM4EMAPK10HSD17B10ITKSMN1; SMN2
SCHEMBL4517828 0.83 KDM4E (0.81) KDM4EMAPK10HSD17B10ITKSMN1; SMN2
SCHEMBL22307953 0.83 KDM4E (0.61) KDM4EMAPK10HSD17B10ITKSMN1; SMN2

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-11358940-B2 K-Ras modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-14 US disclosed
US-20200247762-A1 K-RAS MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-08-06 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 (2 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-20200247762-A1 K-RAS MODULATORS KRAS, HRAS, NRAS KDM4E 1414/4885MAPK10 254/4885HSD17B10 3991/4885
US-11358940-B2 K-Ras modulators KRAS, HRAS, NRAS KDM4E 2440/4885MAPK10 234/4885HSD17B10 3753/4885

“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.