SCHEMBL17367353

SCHEMBL17367353

CCOc1c(-c2ccccc2)c[n+](-c2ncnc3[nH]cnc23)cc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 4/20 0.37
MAP4K4 O95819 4/20 0.37
PRKACA P17612 4/20 0.37
CLK2 P49760 4/20 0.37
GSK3A P49840 4/20 0.37
GSK3B P49841 4/20 0.37
CDK5 Q00535 4/20 0.37
MAP4K2 Q12851 4/20 0.37
ROCK1 Q13464 4/20 0.37
DYRK1A Q13627 4/20 0.37
PDPK1 O15530 4/20 0.37
NTRK1 P04629 3/20 0.37
TAOK1 Q7L7X3 3/20 0.37
NTRK3 Q16288 3/20 0.37
CDC7 O00311 3/20 0.37
CHUK O15111 3/20 0.37
DYRK3 O43781 3/20 0.37
ROCK2 O75116 3/20 0.37
PRKCG P05129 3/20 0.37
LCK P06239 3/20 0.37

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
SCHEMBL17367347 0.80
SCHEMBL17367341 0.74 TTBK1 (0.39) MAPTKMT2AALDH1A1TDP1
SCHEMBL1272493 0.69 DRD4 (0.30)
SCHEMBL17367351 0.67 SMN1; SMN2 (0.35) CDK1CDK2MAPK1MAPTKDM4E
SCHEMBL3388862 0.65 KDM4E (0.40) PRKD3MAP4K4PRKACACLK2GSK3A
SCHEMBL2938674 0.65 JAK2 (0.54) PRKD3MAP4K4PRKACACLK2GSK3A
SCHEMBL13828076 0.64 ALDH1A1 (0.46) MAPK1DPP4KDM4EALDH1A1CYP1A2
Biphenyl SCHEMBL19716178 0.63 MAP4K4 (0.44) MAP4K4PDPK1CDC7LIMK1DPP4
SCHEMBL17367387 0.63 CA12 (0.33) PRKACAPDPK1CDK2MARK3PRKCD
Hydrochloric Acid SCHEMBL17364313 0.62 CA12 (0.35) PRKACAPDPK1CDK2MARK3PRKCD

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 PRKD3 716/4885MAP4K4 2337/4885PRKACA 681/4885

“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.