SCHEMBL5755057

SCHEMBL5755057

O=C(NCCc1ccccn1)c1ccc2[nH]c(-c3cc[nH]n3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NAMPT P43490 3/20 0.47
PDE10A Q9Y233 1/20 0.45
DHFR P00374 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.43
ITK Q08881 1/20 0.42
PARP1 P09874 1/20 0.42
TSHR P16473 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5753994 0.92 ITK (0.50) RAB9ANPC1SMN1; SMN2NAMPTPDE10A
SCHEMBL5754310 0.90 RAB9A (0.55) RAB9ANPC1SMN1; SMN2NAMPTDHFR
SCHEMBL6478823 0.85 ITK (0.37) NAMPTKMT2AITKCYP3A4
SCHEMBL5756863 0.82 ITK (0.58) RAB9ANPC1SMN1; SMN2NAMPTMEN1
SCHEMBL5756790 0.81 RIPK1 (0.46) RAB9ANPC1SMN1; SMN2NAMPTGAA
SCHEMBL5753144 0.81 MAPK1 (0.51) NPC1ITK
SCHEMBL5820247 0.81 KDM4E (0.47) RAB9ANPC1SMN1; SMN2PDE10AMEN1
SCHEMBL5755525 0.81 KDM4E (0.49) MEN1KMT2AITK
SCHEMBL5752904 0.81 ITK (0.55) RAB9ANPC1SMN1; SMN2KMT2AGAA
SCHEMBL5755623 0.80 ITK (0.55) NAMPTITK

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-1648884-A2 PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2006-04-26 EP disclosed
US-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-02-10 US disclosed
WO-2005005414-A2 PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2005-01-20 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-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K9, MAP3K20, MAP3K19 RAB9A 1147/4885NPC1 3439/4885SMN1; SMN2 4414/4885

“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.