SCHEMBL4899359

SCHEMBL4899359

c1cc(Nc2cc3ccccc3cn2)nc(-c2nccs2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.49
RAB9A P51151 1/20 0.47
CHEK1 O14757 1/20 0.43
SRC P12931 3/20 0.43
ZAP70 P43403 3/20 0.43
CDK2 P24941 1/20 0.43
CYP1A1 P04798 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP1B1 Q16678 3/20 0.40
IGF1R P08069 1/20 0.40
HSP90AA1 P07900 1/20 0.39
KARS1 Q15046 1/20 0.38
MAP3K7 O43318 1/20 0.38
MAP3K6 O95382 1/20 0.38
MAP3K5 Q99683 1/20 0.38
CFTR P13569 1/20 0.38

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
SCHEMBL4899437 0.82 RAB9A (0.49) SYKRAB9ASRCZAP70CDK2
SCHEMBL4900811 0.80 SYK (0.40) SYKRAB9ASRCZAP70CDK2
SCHEMBL4904404 0.80 PDPK1 (0.45) SYKRAB9ASRCZAP70CDK2
SCHEMBL4899975 0.79 RAB9A (0.40) SYKRAB9ASRCZAP70CDK2
SCHEMBL4896690 0.79 SYK (0.49) SYKRAB9ASRCZAP70CDK2
SCHEMBL4899942 0.79 LYN (0.49) SYKRAB9ASRCZAP70CDK2
SCHEMBL27682393 0.79 RAB9A (0.40) SYKRAB9ASRCZAP70CDK2
SCHEMBL4901358 0.79 SLC2A1 (0.49) SYKRAB9ASRCZAP70CDK2
SCHEMBL4899241 0.79 CYP1A1 (0.48) SYKRAB9ASRCZAP70CDK2
Hydrochloric Acid SCHEMBL4902556 0.79 PDPK1 (0.44) SYKRAB9ASRCZAP70CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators ICAGEN, INC. (US) 2008-05-08 US disclosed
EP-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 EP disclosed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 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-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators KCNJ2, KCNH2, KCNQ1 SYK 4140/4885RAB9A 3132/4885CHEK1 4169/4885

“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.