SCHEMBL4753950

SCHEMBL4753950

NC(=O)c1nc2[nH]nc(N=Cc3ccccc3Cl)c2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MITF O75030 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
XDH P47989 1/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35

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
SCHEMBL4753922 0.82 RAB9A (0.38) CA1CA9NPC1RAB9AMITF
SCHEMBL14454991 0.80 MEN1 (0.47) CA1CA9NPC1RAB9AMITF
SCHEMBL3501102 0.68 CYP1A2 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL5577960 0.66 GPBAR1 (0.36)
SCHEMBL4752790 0.65 ILK (0.32)
SCHEMBL5577959 0.65 JAK2 (0.35) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL3501617 0.65 GRM2 (0.38) NPC1RAB9AHTTALDH1A1HPGD
SCHEMBL3498258 0.65 LRRK2 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL5578040 0.64 DYRK1A (0.32) DYRK1ADYRK1B
SCHEMBL10090711 0.63 ALDH1A1 (0.68) NPC1RAB9AHTTSMN1; SMN2GRIN2D

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
WO-2008151179-A2 SUBSTITUTED PHENETHYLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-12-11 WO disclosed
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 CA1 4771/4885CA9 4639/4885NPC1 2039/4885

“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.