SCHEMBL17856992

SCHEMBL17856992

Cc1cn2nc(I)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.53
COMT P21964 1/20 0.44
PDE10A Q9Y233 4/20 0.39
AHR P35869 4/20 0.37
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
PIK3CA P42336 2/20 0.31
JAK2 O60674 1/20 0.31
LRRK2 Q5S007 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31

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
SCHEMBL3921056 0.81 DYRK1A (0.58) DYRK1ACOMTPDE10AAHRALDH1A1
SCHEMBL477109 0.76 DYRK1A (0.53) DYRK1ACOMTPDE10AAHRALDH1A1
SCHEMBL1054695 0.76 DYRK1A (0.53) DYRK1ACOMTPDE10AAHRALDH1A1
SCHEMBL17232819 0.76 DYRK1A (0.53) DYRK1ACOMTPDE10AAHRALDH1A1
SCHEMBL29020764 0.76 DYRK1A (0.53) DYRK1ACOMTPDE10AAHRALDH1A1
SCHEMBL25104909 0.76 DYRK1A (0.41) DYRK1ACOMTPDE10AAHRALDH1A1
SCHEMBL2514258 0.76 PIK3CG (0.40) DYRK1AAHRAKT1PIK3CAPIK3CD
SCHEMBL13862032 0.76 PIK3CG (0.32) DYRK1AAHRPIK3CAPIK3CG
Hydrochloric Acid SCHEMBL252835 0.74 PIK3CG (0.39) DYRK1AAHRAKT1PIK3CAPIK3CG
SCHEMBL2067022 0.73 DYRK1A (0.50) DYRK1ACOMTPDE10AAHRALDH1A1

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-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-10-05 US disclosed
WO-2016097347-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS ΡΙ3Κβ INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-06-23 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 (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-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 DYRK1A 2218/4885COMT 907/4885PDE10A 2197/4885

“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.