SCHEMBL4753922

SCHEMBL4753922

Nc1nc2[nH]nc(N=Cc3ccccc3Cl)c2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 0.35
MITF O75030 1/20 0.35
XBP1 P17861 1/20 0.35
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 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
SCHEMBL4753950 0.82 CA1 (0.41) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL14454991 0.78 MEN1 (0.47) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL3500820 0.70 MYC (0.50) RAB9ANPC1ALDH1A1CYP1A2CYP2C9
SCHEMBL31268375 0.65 CA1 (0.56) ALDH1A1MAPTCA1CA9KDM4E
SCHEMBL27194234 0.65 CA1 (0.56) ALDH1A1MAPTCA1CA9KDM4E
SCHEMBL3499091 0.64 ALDH1A1 (0.50) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL379834 0.62 GRIN1 (0.57) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL379833 0.62 GRIN1 (0.57) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL4753611 0.62 GPBAR1 (0.39) RAB9ANPC1ALDH1A1CYP1A2CYP2C9
SCHEMBL4752792 0.61 RPS6KA3 (0.47) MAPTCA1CA9SMN1; SMN2HTT

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
EP-1966222-A2 PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
WO-2007059341-A2 PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 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-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators MAP4K2, MAP4K5, MAP4K3 RAB9A 1840/4885NPC1 2039/4885ALDH1A1 3700/4885

“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.