SCHEMBL17782879

SCHEMBL17782879

Cc1cc(N)nc(S)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
RECQL P46063 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.40
ALDH1A1 P00352 8/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 4/20 0.37
HSD17B10 Q99714 3/20 0.37
GAA P10253 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.35
BACE1 P56817 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
ALOX15 P16050 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
HAVCR2 Q8TDQ0 1/20 0.35

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
SCHEMBL30411552 0.80 KDM4E (0.71) KDM4ERECQLTDP1MEN1KMT2A
SCHEMBL1140140 0.80 KDM4E (0.71) KDM4ERECQLTDP1MEN1KMT2A
SCHEMBL10329461 0.80 KDM4E (0.46) KDM4ERECQLTDP1MEN1KMT2A
SCHEMBL553686 0.80 KDM4E (0.55) KDM4ERECQLTDP1MEN1KMT2A
SCHEMBL3985050 0.80 KDM4E (0.60) KDM4ERECQLTDP1MEN1KMT2A
SCHEMBL30370553 0.80 KDM4E (0.55) KDM4ERECQLTDP1MEN1KMT2A
SCHEMBL3639155 0.77 L3MBTL1 (0.54) KDM4ERECQLTDP1MEN1KMT2A
SCHEMBL17163957 0.74 RECQL (0.67) KDM4ERECQLTDP1MEN1KMT2A
SCHEMBL18704154 0.74 KDM4E (0.49) KDM4ERECQLTDP1MEN1KMT2A
SCHEMBL29174222 0.72 KDM4E (0.46) KDM4ERECQLTDP1MEN1KMT2A

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-9662328-B2 Targeting human thymidylate kinase induces DNA repair toxicity in malignant tumor cells NATIONAL TAIWAN UNIVERSITY (TW) 2017-05-30 US disclosed
US-20160151362-A1 TARGETING HUMAN THYMIDYLATE KINASE INDUCES DNA REPAIR TOXICITY IN MALIGNANT TUMOR CELLS NATIONAL TAIWAN UNIVERSITY (TW) 2016-06-02 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-20160151362-A1 TARGETING HUMAN THYMIDYLATE KINASE INDUCES DNA REPAIR TOXICITY IN MALIGNANT TUMOR CELLS DTYMK, TYMP, TK1 KDM4E 2399/4885RECQL 864/4885TDP1 45/4885

“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.