SCHEMBL5577941

SCHEMBL5577941

Nc1nc2[nH]nc(-n3cnnc3-c3ccccc3Cl)c2s1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.40
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MYC P01106 1/20 0.36
WDR5 P61964 1/20 0.36
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
ADK P55263 1/20 0.33
P2RX7 Q99572 1/20 0.33
PIK3CA P42336 1/20 0.32

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
SCHEMBL5577939 0.84 HSD11B1 (0.36) HSD11B1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5577966 0.80 HSD11B1 (0.35) HSD11B1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4753611 0.80 GPBAR1 (0.39) HSD11B1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14454989 0.79 MEN1 (0.44) NPC1RAB9A
SCHEMBL3500820 0.75 MYC (0.50) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL14454993 0.68 CDC7 (0.34)
SCHEMBL5578054 0.67 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL5577951 0.67 GPBAR1 (0.39) HSD11B1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5577954 0.66 GPBAR1 (0.39) P2RX7
SCHEMBL5623346 0.66 P2RX7 (0.47) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 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-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators MAP4K2, MAP4K5, MAP4K3 HSD11B1 3411/4885ALDH1A1 3700/4885KDM4E 1377/4885

“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.