SCHEMBL2160910

SCHEMBL2160910

Cc1ccccc1/C=N\O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGF23 Q9GZV9 1/20 0.53
LMNA P02545 5/20 0.50
ALDH1A1 P00352 4/20 0.50
TSHR P16473 3/20 0.50
HPGD P15428 6/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
ALOX12 P18054 1/20 0.46
MAPK1 P28482 3/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL406151 1.00 FGF23 (0.53) FGF23LMNAALDH1A1TSHRHPGD
SCHEMBL406150 1.00 FGF23 (0.53) FGF23LMNAALDH1A1TSHRHPGD
Hydrochloric Acid SCHEMBL28411183 0.98 FGF23 (0.52) FGF23LMNAALDH1A1TSHRHPGD
SCHEMBL7512839 0.83 FGF23 (0.47) FGF23LMNAALDH1A1TSHRHPGD
SCHEMBL7512835 0.83 FGF23 (0.47) FGF23LMNAALDH1A1TSHRHPGD
SCHEMBL2161592 0.82 ALOX12 (0.47) FGF23LMNAALDH1A1TSHRHPGD
SCHEMBL533982 0.82 ALOX12 (0.47) FGF23LMNAALDH1A1TSHRHPGD
SCHEMBL533983 0.82 ALOX12 (0.47) FGF23LMNAALDH1A1TSHRHPGD
SCHEMBL6779682 0.82 FGF23 (0.57) FGF23LMNAALDH1A1TSHRHPGD
SCHEMBL10889088 0.81 ALDH1A1 (0.42) FGF23LMNAALDH1A1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-8049017-B2 Preparation of isoxazolin-3-ylacylbenzenes BASF SE (DE) 2011-11-01 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-20110152535-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES RHEINHEIMER JOACHIM 2011-06-23 US disclosed
US-7906522-B2 2-aminoquinazoline derivatives KYOWA HAKKO KIRIN CO., LTD (JP) 2011-03-15 US disclosed
US-20090137583-A1 2-AMINOQUINAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-28 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
US-4405357-A Herbicidal 3-isoxazolidinones and hydroxamic acids FMC CORPORATION (US) 1983-09-20 US disclosed
US-4206132-A Lanthanide chelate of a fluorinated ligand THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1980-06-03 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 (5 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-20110152535-A1 PREPARATION OF ISOXAZOLIN-3-YLACYLBENZENES CBR3, CYP4X1, UQCRB FGF23 4713/4885LMNA 2052/4885ALDH1A1 549/4885
US-20090137583-A1 2-AMINOQUINAZOLINE DERIVATIVES SLC7A1, SLC38A7, PRMT7 FGF23 3304/4885LMNA 2517/4885ALDH1A1 1329/4885
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 FGF23 4061/4885LMNA 2814/4885ALDH1A1 1374/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 FGF23 4061/4885LMNA 2814/4885ALDH1A1 1374/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 FGF23 4089/4885LMNA 2850/4885ALDH1A1 1255/4885

“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.