SCHEMBL1577535

SCHEMBL1577535

CC(C)(O)c1ccncc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.39
PDE4B Q07343 1/20 0.38
PDE7A Q13946 1/20 0.38
USP2 O75604 1/20 0.35
RAB9A P51151 1/20 0.35
GABRA1 P14867 1/20 0.35
TGFBR1 P36897 1/20 0.34
TGFBR2 P37173 1/20 0.34
LATS1 O95835 3/20 0.34
LATS2 Q9NRM7 3/20 0.34
PRKCB P05771 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
MAPT P10636 1/20 0.34
GSK3B P49841 1/20 0.34
SLC22A12 Q96S37 3/20 0.33
RPS6KA3 P51812 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL30211245 1.00 LOXL2 (0.39) LOXL2PDE4BPDE7AUSP2RAB9A
SCHEMBL803091 0.83 LOXL2 (0.42) LOXL2RAB9ALATS1LATS2PRKCB
SCHEMBL30947591 0.81 LOXL2 (0.41) LOXL2LATS1LATS2PRKCBPRKCH
SCHEMBL9667063 0.80 SLC22A12 (0.41) SLC22A12CYP3A4
SCHEMBL31407209 0.79 LOXL2 (0.44) LOXL2LATS1LATS2PRKCBPRKCH
SCHEMBL27842129 0.77 TDP1 (0.38) LATS1LATS2PRKCHPRKCEPRKCQ
SCHEMBL31291226 0.77 TDP1 (0.38) LATS1LATS2PRKCHPRKCEPRKCQ
SCHEMBL18626326 0.76 LOXL2 (0.41) LOXL2PDE4BPDE7ALATS1LATS2
SCHEMBL2145747 0.76 LOXL2 (0.43) LOXL2
SCHEMBL3379818 0.75 ALDH1A1 (0.42) MAPTGSK3BSLC22A12CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024010963-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF TYK2/JAK1, COMPOSITION AND APPLICATION THEREOF ACCRO BIOSCIENCE (HK) LIMITED (CN) 2024-01-11 WO disclosed
US-9663511-B2 Sphingosine 1-phosphate receptor antagonists Arroyo BioSciences, LLC (US) 2017-05-30 US disclosed
US-9663511-B2 Sphingosine 1-phosphate receptor antagonists Arroyo BioSciences, LLC (US) 2017-05-30 US disclosed
US-20150045332-A1 Novel Sphingosine 1-Phosphate Receptor Antagonists ARROYO BIOSCIENCES L.L.C. 2015-02-12 US disclosed
US-20150045332-A1 Novel Sphingosine 1-Phosphate Receptor Antagonists ARROYO BIOSCIENCES L.L.C. 2015-02-12 US disclosed
US-8703797-B2 Condensed ring pyridine compounds as subtype-selective modulators of sphingosine-1-phosphate-2 (S1P2) receptors ALLERGAN, INC. (US) 2014-04-22 US disclosed
US-20130296361-A1 Condensed Ring Pyridine Compounds As Subtype-Selective Modulators Of Sphingosine-1-Phosphate-2 (S1P2) Receptors ALLERGAN, INC. 2013-11-07 US disclosed
US-20130296361-A1 Condensed Ring Pyridine Compounds As Subtype-Selective Modulators Of Sphingosine-1-Phosphate-2 (S1P2) Receptors ALLERGAN, INC. 2013-11-07 US disclosed
US-20130296361-A1 Condensed Ring Pyridine Compounds As Subtype-Selective Modulators Of Sphingosine-1-Phosphate-2 (S1P2) Receptors ALLERGAN, INC. 2013-11-07 US disclosed
US-8507682-B2 Condensed ring pyridine compounds as subtype-selective modulators of sphingosine-1-phosphate-2 (S1P2) receptors ALLERGAN, INC. (US) 2013-08-13 US disclosed
US-8507682-B2 Condensed ring pyridine compounds as subtype-selective modulators of sphingosine-1-phosphate-2 (S1P2) receptors ALLERGAN, INC. (US) 2013-08-13 US disclosed
US-8507682-B2 Condensed ring pyridine compounds as subtype-selective modulators of sphingosine-1-phosphate-2 (S1P2) receptors ALLERGAN, INC. (US) 2013-08-13 US disclosed
CN-102741232-A As sphingosine-1-phosphate-2 (S1P)2) Fused ring pyridine compounds as subtype-selective modulators of receptors ALLERGAN INC 2012-10-17 CN disclosed
US-20120208840-A1 Condensed Ring Pyridine Compounds As Subtype-Selective Modulators Of Sphingosine-1-Phosphate-2 (S1P2) Receptors ALLERGAN, INC. (US) 2012-08-16 US disclosed
US-20120208840-A1 Condensed Ring Pyridine Compounds As Subtype-Selective Modulators Of Sphingosine-1-Phosphate-2 (S1P2) Receptors ALLERGAN, INC. (US) 2012-08-16 US disclosed
US-20120208840-A1 Condensed Ring Pyridine Compounds As Subtype-Selective Modulators Of Sphingosine-1-Phosphate-2 (S1P2) Receptors ALLERGAN, INC. (US) 2012-08-16 US disclosed
EP-2483245-A1 CONDENSED RING PYRIDINE COMPOUNDS AS SUBTYPE-SELECTIVE MODULATORS OF SPHINGOSINE-1-PHOSPHATE-2 (S1P2) RECEPTORS Allergan, Inc. (US) 2012-08-08 EP disclosed
WO-2011041287-A1 CONDENSED RING PYRIDINE COMPOUNDS AS SUBTYPE-SELECTIVE MODULATORS OF SPHINGOSINE-1-PHOSPHATE-2 (S1P2) RECEPTORS ALLERGAN, INC. (US) 2011-04-07 WO disclosed
WO-2011041287-A1 CONDENSED RING PYRIDINE COMPOUNDS AS SUBTYPE-SELECTIVE MODULATORS OF SPHINGOSINE-1-PHOSPHATE-2 (S1P2) RECEPTORS ALLERGAN, INC. (US) 2011-04-07 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 (3 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-20150045332-A1 Novel Sphingosine 1-Phosphate Receptor Antagonists S1PR2, S1PR1, S1PR5 LOXL2 723/4885PDE4B 1642/4885PDE7A 1831/4885
US-20130296361-A1 Condensed Ring Pyridine Compounds As Subtype-Selective Modulators Of Sphingosine-1-Phosphate-2 (S1P2) Receptors S1PR1, S1PR2, S1PR3 LOXL2 504/4885PDE4B 418/4885PDE7A 525/4885
US-20120208840-A1 Condensed Ring Pyridine Compounds As Subtype-Selective Modulators Of Sphingosine-1-Phosphate-2 (S1P2) Receptors S1PR1, S1PR2, S1PR3 LOXL2 504/4885PDE4B 418/4885PDE7A 525/4885

“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.