SCHEMBL19815098

SCHEMBL19815098

NC(=O)Cc1csc(CNC(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.42
GABRB2 P47870 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.38
CSNK2A1 P68400 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 2/20 0.37
GAA P10253 1/20 0.37
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
GFER P55789 1/20 0.36
F2 P00734 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
SCHEMBL2909009 0.79 RAB9A (0.39) ALDH1A1RAB9ALMNAKDM4ESMN1; SMN2
SCHEMBL28684742 0.79 HDAC3 (0.45) ALDH1A1RAB9AL3MBTL1LMNAKDM4E
SCHEMBL15581589 0.78 GABRA5 (0.44) GABRA5GABRB2HSD17B10ALDH1A1RAB9A
SCHEMBL14206861 0.74 SLC6A3 (0.45) GABRA5GABRB2HSD17B10ALDH1A1RAB9A
SCHEMBL19259693 0.73 ROCK2 (0.41) ALDH1A1RAB9ALMNAKDM4EMAPT
SCHEMBL29999682 0.73 NPC1 (0.36) ALDH1A1RAB9AL3MBTL1LMNAKDM4E
SCHEMBL5544014 0.73 SMN1; SMN2 (0.57) GABRA5GABRB2HSD17B10ALDH1A1RAB9A
SCHEMBL29102944 0.72 HDAC1 (0.39) HDAC1HDAC6
SCHEMBL13447427 0.72 SLC6A3 (0.47) GABRA5GABRB2HSD17B10ALDH1A1RAB9A
SCHEMBL15581369 0.71 CYP1A2 (0.41) GABRA5GABRB2HSD17B10ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10683292-B2 Purine and 3-deazapurine analogues as choline kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2020-06-16 US disclosed
US-20190225615-A1 PURINE AND 3-DEAZAPURINE ANALOGUES AS CHOLINE KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-07-25 US disclosed
EP-3487857-A1 PURINE AND 3-DEAZAPURINE ANALOGUES AS CHOLINE KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2019-05-29 EP disclosed
WO-2018019681-A1 PURINE AND 3-DEAZAPURINE ANALOGUES AS CHOLINE KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2018-02-01 WO 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-10683292-B2 Purine and 3-deazapurine analogues as choline kinase inhibitors DCK, CHKA, ADK GABRA5 4187/4885GABRB2 4739/4885HSD17B10 3965/4885
US-20190225615-A1 PURINE AND 3-DEAZAPURINE ANALOGUES AS CHOLINE KINASE INHIBITORS DCK, CHKA, ADK GABRA5 4187/4885GABRB2 4739/4885HSD17B10 3965/4885

“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.