SCHEMBL3114355

SCHEMBL3114355

O=C/C=N/Nc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.53
▸ NPC1 O15118 9/20 0.53
▸ SMN1; SMN2 Q16637 6/20 0.53
▸ GAA P10253 6/20 0.53
▸ MAPT P10636 5/20 0.53
▸ LMNA P02545 3/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ CASP3 P42574 2/20 0.53
▸ SENP7 Q9BQF6 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ SENP6 Q9GZR1 1/20 0.53
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ NCOA1 Q15788 1/20 0.48
▸ NCOA3 Q9Y6Q9 1/20 0.48
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47

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
SCHEMBL3114363 1.00 RAB9A (0.53) RAB9ANPC1SMN1; SMN2GAAMAPT
SCHEMBL30864974 1.00 RAB9A (0.53) RAB9ANPC1SMN1; SMN2GAAMAPT
SCHEMBL15785528 0.79 RAB9A (0.50) RAB9ANPC1SMN1; SMN2GAAMAPT
SCHEMBL12726207 0.77 RAB9A (0.56) RAB9ANPC1SMN1; SMN2GAAMAPT
SCHEMBL16418407 0.77 RAB9A (0.56) RAB9ANPC1SMN1; SMN2GAAMAPT
SCHEMBL24870922 0.77 RAB9A (0.56) RAB9ANPC1SMN1; SMN2GAAMAPT
SCHEMBL25830149 0.77 RAB9A (0.56) RAB9ANPC1SMN1; SMN2GAAMAPT
SCHEMBL18528347 0.75 RAB9A (0.51) RAB9ANPC1SMN1; SMN2GAAMAPT
SCHEMBL17234471 0.75 RAB9A (0.51) RAB9ANPC1SMN1; SMN2GAAMAPT
SCHEMBL8342118 0.74 PAX8 (0.65) RAB9ANPC1SMN1; SMN2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 — — US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 — — US disclosed
EP-2001880-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2008-12-17 — — EP disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 — — US disclosed
WO-2007103308-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-09-13 — — 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 (2 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-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 RAB9A 2498/4885NPC1 2180/4885SMN1; SMN2 1840/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 RAB9A 2498/4885NPC1 2180/4885SMN1; SMN2 1840/4885

“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.

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