SCHEMBL6071128

SCHEMBL6071128

O=C(Nc1ccc2[nH]c3c(c2c1)CCc1c[nH]nc1-3)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.47
NPC1 O15118 8/20 0.47
MAPT P10636 5/20 0.47
LMNA P02545 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
TTK P33981 2/20 0.46
KMT2A Q03164 7/20 0.43
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HPGD P15428 4/20 0.43
TP53 P04637 4/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
HSD17B10 Q99714 2/20 0.43
APAF1 O14727 1/20 0.43
PPARG P37231 1/20 0.43
RECQL P46063 1/20 0.43
SMAD3 P84022 1/20 0.43

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
SCHEMBL6071385 0.82 MAPK10 (0.52) RAB9ANPC1MAPTLMNANFKB1
SCHEMBL6070536 0.74 RAB9A (0.44) RAB9ANPC1MAPTLMNANFKB1
SCHEMBL6070529 0.74 RAB9A (0.44) RAB9ANPC1MAPTLMNANFKB1
SCHEMBL6070734 0.73 GSK3B (0.47) MAPTKMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL5583231 0.73 NPC1 (0.52) RAB9ANPC1MAPTLMNATTK
SCHEMBL6070802 0.72 MEN1 (0.49) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL6071270 0.72 PRKD1 (0.47) RAB9ANPC1MAPTLMNAKMT2A
SCHEMBL6070835 0.70 MPL (0.50) RAB9ANPC1MAPTLMNAKMT2A
SCHEMBL6071194 0.70 RAB9A (0.55) RAB9ANPC1MAPTLMNANFKB1
SCHEMBL6070722 0.70 MAPK10 (0.59) RAB9ANPC1MAPTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-23 US claimed
US-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-23 US disclosed
EP-1599202-A1 TETRACYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2005-11-30 EP disclosed
WO-2004071507-A1 TETRACYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2004-08-26 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-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K1, MAP3K19, MAP3K20 RAB9A 1100/4885NPC1 2842/4885MAPT 639/4885

“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.