SCHEMBL9924303

SCHEMBL9924303

CC(=O)C(F)(F)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
▸ PLK1 P53350 1/20 0.50
▸ NPC1 O15118 5/20 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 5/20 0.49
▸ RAB9A P51151 4/20 0.47
▸ PABPC1 P11940 1/20 0.47
▸ MET P08581 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 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
▸ CASP1 P29466 1/20 0.45
▸ ATM Q13315 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
SCHEMBL2698205 0.88 PABPC1 (0.50) HTTALOX15PLK1NPC1POLB
SCHEMBL9910478 0.86 NPC1 (0.48) HTTALOX15PLK1NPC1POLB
SCHEMBL30421806 0.86 NPC1 (0.48) HTTALOX15PLK1NPC1POLB
SCHEMBL13227687 0.85 HTT (0.46) HTTALOX15PLK1NPC1POLB
SCHEMBL2496975 0.85 ALOX15 (0.56) HTTALOX15PLK1NPC1POLB
SCHEMBL1696435 0.85 NPC1 (0.47) HTTALOX15PLK1NPC1POLB
Hydrochloric Acid SCHEMBL2698455 0.85 NPC1 (0.47) HTTALOX15PLK1NPC1POLB
SCHEMBL1163268 0.84 NPC1 (0.49) HTTALOX15PLK1NPC1POLB
SCHEMBL16148241 0.82 PABPC1 (0.56) HTTALOX15PLK1NPC1POLB
SCHEMBL1163211 0.82 ACSS2 (0.52) HTTALOX15PLK1NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9066954-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2015-06-30 — — US disclosed
US-8629144-B2 Polymorphic and hydrate forms, salts and process for preparing 6-{difluoro[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}quinoline JANSSEN PHARMACEUTICA NV (BE) 2014-01-14 — — US disclosed
US-20130303529-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-11-14 — — US disclosed
US-8524900-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2013-09-03 — — US disclosed
US-20120148531-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-06-14 — — US disclosed
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-05-03 — — US disclosed
US-20100197912-A1 Polymorphic and hydrate forms, salts and process for preparing 6-quinoline JANSSEN PHARMACEUTICA NV 2010-08-05 — — US 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 (4 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-20120148531-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET HTT 595/4885ALOX15 1069/4885PLK1 2673/4885
US-20130303529-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET HTT 595/4885ALOX15 1069/4885PLK1 2673/4885
US-20100197912-A1 Polymorphic and hydrate forms, salts and process for preparing 6-quinoline CYP2D6, UGT1A1, UGT1A6 HTT 484/4885ALOX15 4036/4885PLK1 1851/4885
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET HTT 595/4885ALOX15 1069/4885PLK1 2673/4885

“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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