SCHEMBL5757641

SCHEMBL5757641

O=C(NCC1CCCO1)c1ccc2cc(-c3cc[nH]n3)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
RAB9A P51151 3/20 0.53
NPC1 O15118 1/20 0.53
HPGD P15428 10/20 0.51
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 3/20 0.51
ALDH1A1 P00352 4/20 0.50
GAA P10253 2/20 0.50
GLA P06280 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL5755142 0.93 KMT2A (0.54) KMT2AMEN1RAB9AHPGDKDM4E
SCHEMBL5754568 0.80 ALDH1A1 (0.52) KMT2AMEN1RAB9ANPC1HPGD
SCHEMBL5756552 0.78 ITK (0.51)
SCHEMBL5755007 0.78 RAB9A (0.46) RAB9ANPC1HPGDKDM4EHSD17B10
SCHEMBL5757315 0.77 ITK (0.53) RAB9ANPC1HPGDKDM4EALDH1A1
SCHEMBL5759271 0.76 ITK (0.48) KMT2AHPGDKDM4EHSD17B10GAA
SCHEMBL6491253 0.76 ITK (0.50) KMT2AMEN1KDM4EHSD17B10ALDH1A1
SCHEMBL5752622 0.76 ITK (0.50) KMT2AMEN1HPGDKDM4EHSD17B10
SCHEMBL5757347 0.76 ITK (0.66) KMT2ARAB9ANPC1HPGDKDM4E
SCHEMBL5754383 0.75 ROCK2 (0.52) HPGDKDM4EHSD17B10ALDH1A1GAA

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 KMT2A 1158/4885MEN1 2784/4885RAB9A 1147/4885

“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.