SCHEMBL12201588

SCHEMBL12201588

CC(C)(C)NCc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
PKM P14618 1/20 0.56
RIPK1 Q13546 1/20 0.51
LMNA P02545 2/20 0.50
TAAR1 Q96RJ0 3/20 0.47
IDO1 P14902 2/20 0.45
MCL1 Q07820 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SCN8A Q9UQD0 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MPO P05164 1/20 0.43
HTT P42858 1/20 0.43
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
SCHEMBL22548784 0.84 KDM4E (0.49) KMT2AMEN1PKMALDH1A1HPGD
SCHEMBL20255344 0.84 KMT2A (0.47) KMT2AMEN1PKMRIPK1TAAR1
SCHEMBL14444066 0.80 TAAR1 (0.63) KMT2AMEN1PKMLMNATAAR1
SCHEMBL13950564 0.77 MEN1 (0.40) KMT2AMEN1PKMRIPK1TAAR1
SCHEMBL14176495 0.77 KDM4E (0.60) KMT2AMEN1PKMALDH1A1HPGD
SCHEMBL12201605 0.77 CHRM2 (0.50) KMT2AMEN1PKMLMNATAAR1
SCHEMBL7922884 0.76 IDO1 (0.48) KMT2AMEN1PKMRIPK1IDO1
SCHEMBL17658902 0.76 MEN1 (0.47) KMT2AMEN1PKMRIPK1IDO1
SCHEMBL13002486 0.76 IDO1 (0.52) KMT2AIDO1ALDH1A1SCN8ANPSR1
SCHEMBL23613102 0.76 L3MBTL1 (0.57) KMT2AMEN1PKMRIPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210107909-A1 SMALL MOLECULE MODULATORS OF PAR2 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-04-15 US disclosed
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
US-9855269-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2018-01-02 US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 US disclosed
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 US disclosed
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2016-10-13 US disclosed
US-9382241-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2016-07-05 US disclosed
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-8268998-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-18 US disclosed
US-20110245252-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
US-7982033-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-19 US disclosed
US-7737279-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-15 US disclosed
US-20100081662-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
US-7482359-B2 Androgen receptor modulators MERCK & CO., INC. (US) 2009-01-27 US disclosed
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents HILL JASON 2009-01-08 US disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 US disclosed
US-20070269405-A1 Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2007-11-22 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-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 KMT2A 1131/4885MEN1 803/4885PKM 597/4885
US-20100081662-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 KMT2A 2698/4885MEN1 4186/4885PKM 1113/4885
US-20210107909-A1 SMALL MOLECULE MODULATORS OF PAR2 AND USES THEREOF F2RL1, F2R, TBXA2R KMT2A 1770/4885MEN1 3582/4885PKM 1574/4885
US-20070269405-A1 Androgen Receptor Modulators AR, SHBG, FSHR KMT2A 1900/4885MEN1 2965/4885PKM 1003/4885
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES DPYD, FANCD2, RECQL KMT2A 437/4885MEN1 454/4885PKM 604/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR KMT2A 1463/4885MEN1 1241/4885PKM 1259/4885
US-20110245252-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 KMT2A 2698/4885MEN1 4186/4885PKM 1113/4885
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP KMT2A 4561/4885MEN1 3618/4885PKM 4392/4885
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP KMT2A 4561/4885MEN1 3618/4885PKM 4392/4885

“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.