SCHEMBL12049554

SCHEMBL12049554

CC(C)(C(=O)O)c1ccc2ncccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ PABPC1 P11940 1/20 0.50
▸ PLK1 P53350 1/20 0.50
▸ NPC1 O15118 6/20 0.49
▸ POLB P06746 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ RAB9A P51151 5/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ GAA P10253 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ HSP90AB1 P08238 1/20 0.45
▸ TSHR P16473 1/20 0.45

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
Hydrochloric Acid SCHEMBL3590574 0.98 PABPC1 (0.49) HTTALOX15PABPC1PLK1NPC1
SCHEMBL28065794 0.86 NPC1 (0.50) HTTALOX15PABPC1PLK1NPC1
SCHEMBL8708785 0.85 PABPC1 (0.48) HTTALOX15PABPC1PLK1NPC1
SCHEMBL2695455 0.85 PABPC1 (0.48) HTTALOX15PABPC1PLK1NPC1
SCHEMBL1163248 0.84 HTT (0.50) HTTALOX15PABPC1PLK1NPC1
SCHEMBL3603329 0.84 ALOX15 (0.57) HTTALOX15PABPC1PLK1NPC1
SCHEMBL3344550 0.84 PABPC1 (0.47) HTTALOX15PABPC1PLK1NPC1
SCHEMBL2698205 0.81 PABPC1 (0.50) HTTALOX15PABPC1PLK1NPC1
SCHEMBL11013012 0.80 MAOB (0.47) HTTALOX15PABPC1PLK1NPC1
SCHEMBL1329308 0.80 ALDH1A1 (0.55) HTTALOX15PABPC1PLK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8269013-B2 Substituted pyrazole inhibitors of c-Met protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 — — US disclosed
US-8269013-B2 Substituted pyrazole inhibitors of c-Met protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 — — US disclosed
EP-2081937-B1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 — — EP disclosed
US-8071581-B2 Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-12-06 — — US disclosed
US-8071581-B2 Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-12-06 — — US disclosed
WO-2010138663-A1 SUBSTITUTED PYRAZOLE INHIBITORS OF C-MET PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-02 — — WO disclosed
US-20100305155-A1 SUBSTITUTED PYRAZOLE INHIBITORS OF C-MET PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-02 — — US disclosed
US-20100305155-A1 SUBSTITUTED PYRAZOLE INHIBITORS OF C-MET PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-02 — — US disclosed
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2010-05-13 — — US disclosed
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2010-05-13 — — US disclosed
WO-2008051805-A2 TRIAZOLO-PYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 — — 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-20100305155-A1 SUBSTITUTED PYRAZOLE INHIBITORS OF C-MET PROTEIN KINASE MET, BRAF, DMPK HTT 4628/4885ALOX15 4503/4885PABPC1 960/4885
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS MAP4K5, MAPKAPK5, MAP4K2 HTT 4272/4885ALOX15 2989/4885PABPC1 2073/4885

“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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