SCHEMBL9965629

SCHEMBL9965629

Cc1ccnc(NC(c2cccc(F)c2)c2ccc3ccc(C)nc3c2O)c1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P4HB P07237 2/20 0.82
MAPT P10636 6/20 0.81
GAA P10253 3/20 0.81
LMNA P02545 3/20 0.76
KDM4E B2RXH2 4/20 0.68
TDP1 Q9NUW8 3/20 0.68
MAPK1 P28482 2/20 0.68
ALDH1A1 P00352 2/20 0.68
TP53 P04637 1/20 0.61
HTT P42858 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61

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
SCHEMBL31023282 0.89 MAPT (0.81) P4HBMAPTGAALMNAKDM4E
SCHEMBL26241620 0.88 MAPT (0.81) P4HBMAPTGAALMNAKDM4E
SCHEMBL26241624 0.88 MAPT (0.81) P4HBMAPTGAALMNAKDM4E
SCHEMBL26242447 0.85 MAPT (0.76) P4HBMAPTGAALMNAKDM4E
SCHEMBL15783130 0.84 MAPT (0.81) P4HBMAPTGAALMNAKDM4E
SCHEMBL9965702 0.82 MAPT (0.73) P4HBMAPTGAALMNAKDM4E
SCHEMBL9965764 0.82 MAPT (0.66) P4HBMAPTGAALMNAKDM4E
SCHEMBL15700803 0.82 MAPT (0.66) P4HBMAPTGAALMNAKDM4E
SCHEMBL17813730 0.81 MAPT (0.71) P4HBMAPTGAALMNAKDM4E
SCHEMBL16501070 0.81 MAPT (0.75) P4HBMAPTGAALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190256471-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS THE GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AR (US) 2019-08-22 US disclosed
US-10301265-B2 Small molecule inhibitors of botulinum neurotoxins THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2019-05-28 US disclosed
US-9273031-B2 Combination therapy with MDM2 and EFGR inhibitors Errico, Joseph P. (US) 2016-03-01 US disclosed
US-9238641-B2 2016-01-19 US disclosed
US-9073858-B2 Methods of targeted drug development Errico, Joseph P. (US) 2015-07-07 US disclosed
US-9023354-B2 Combination therapy with MDM2 and EFGR inhibitors Errico, Joseph P. (US) 2015-05-05 US disclosed
US-20150105412-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS ERRICO, JOSEPH P. 2015-04-16 US disclosed
US-20140194439-A1 METHODS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-07-10 US disclosed
US-20140163069-A1 COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-12 US disclosed
US-20140134163-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS Errico, Joseph P. (US) 2014-05-15 US disclosed
US-8658170-B2 Combination therapy with MDM2 and EFGR inhibitors Errico, Joseph P. (US) 2014-02-25 US disclosed
US-20120156197-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS Errico, Joseph P. (US) 2012-06-21 US disclosed
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2011-12-08 US disclosed
US-20110294848-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2011-12-01 US disclosed
US-20110294848-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2011-12-01 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 (9 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-20120156197-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS TP53, EGFR, MDM2 P4HB 4025/4885MAPT 3015/4885GAA 914/4885
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 P4HB 2320/4885MAPT 1076/4885GAA 3478/4885
US-20140163069-A1 COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 P4HB 2500/4885MAPT 1268/4885GAA 3447/4885
US-20150105412-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS TP53, EGFR, MDM2 P4HB 4025/4885MAPT 3015/4885GAA 914/4885
US-20140134163-A1 COMBINATION THERAPY WITH MDM2 AND EFGR INHIBITORS TP53, EGFR, MDM2 P4HB 4025/4885MAPT 3015/4885GAA 914/4885
US-10301265-B2 Small molecule inhibitors of botulinum neurotoxins RAC2, BTN3A1, GDI1 P4HB 2999/4885MAPT 2064/4885GAA 647/4885
US-20190256471-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS RAC2, BTN3A1, GDI1 P4HB 2999/4885MAPT 2064/4885GAA 647/4885
US-20140194439-A1 METHODS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB4 P4HB 2095/4885MAPT 1499/4885GAA 3607/4885
US-20110294848-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS RAC2, BTN3A1, GDI1 P4HB 2999/4885MAPT 2064/4885GAA 647/4885

“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.