SCHEMBL17367351

SCHEMBL17367351

CCCOc1cc[n+](-c2ncnc3[nH]cnc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 6/20 0.35
NPC1 O15118 5/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL17367341 0.89 TTBK1 (0.39) SMN1; SMN2L3MBTL1RAB9ANPC1MAPT
SCHEMBL17367387 0.75 CA12 (0.33) NPC1CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL17364313 0.74 CA12 (0.35) CA12CA1CA2CA9CDK2
SCHEMBL1272493 0.74 DRD4 (0.30)
SCHEMBL17367355 0.73 SMN1; SMN2 (0.39) SMN1; SMN2KDM4ERAB9ANPC1MAPT
SCHEMBL4922847 0.72 CCNB2 (0.45) SMN1; SMN2KDM4EL3MBTL1MAPK1MAPT
SCHEMBL17367347 0.69
SCHEMBL17367361 0.68
SCHEMBL17367353 0.67 PRKD3 (0.37) KDM4EMAPK1MAPTALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL17364305 0.67

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-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods ZHONG MINGHONG (US) 2015-12-31 US disclosed
US-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods ZHONG MINGHONG (US) 2015-12-31 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-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods PNP, ATIC, NT5C3B SMN1; SMN2 1713/4885KDM4E 4304/4885L3MBTL1 1801/4885

“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.