SCHEMBL4033951

SCHEMBL4033951

Cc1ncc(C(C)(C)C)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
UHRF1 Q96T88 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 3/20 0.34
DGAT1 O75907 2/20 0.33
ALOX5AP P20292 1/20 0.33
HTR1D P28221 1/20 0.32
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32

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
SCHEMBL573513 0.81 CYP1A2 (0.43) POLBALDH1A1KMT2AMEN1PKM
SCHEMBL30797381 0.81 CYP1A2 (0.43) POLBALDH1A1KMT2AMEN1PKM
SCHEMBL21590041 0.80 KMT2A (0.42) POLBMAPTALDH1A1GAAKMT2A
SCHEMBL12570327 0.79 POLB (0.41) POLBMAPTKDM4EHTR1DNOS3
SCHEMBL24127226 0.78 GAA (0.41) POLBMAPTALDH1A1GAAKMT2A
SCHEMBL19728987 0.77 PIK3CD (0.43) POLBMAPTALDH1A1GAAKMT2A
SCHEMBL10202034 0.76 NOS3 (0.58) POLBMAPTALDH1A1GAAKMT2A
SCHEMBL13688735 0.76 HSP90AA1 (0.36) POLBMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL15119913 0.74 ALDH1A1 (0.45) POLBMAPTALDH1A1GAAKMT2A
SCHEMBL12241428 0.74 CHRNB2 (0.40) POLBALDH1A1KMT2AMEN1PKM

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867646-A1 Cytokine inhibitors Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2007-12-19 EP claimed
US-7285545-B2 N-Pyridyl-7-substituted-2-indolecarboxamides, e.g., 1-Methyl-7-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yloxy]-1H-indole-2-carboxylic acid (2-tert-butyl-5-methoxy-pyridin-4-yl)-amide; used to treat chronic inflammatory diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-23 US claimed
EP-1745036-A2 CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-01-24 EP claimed
WO-2005108387-A2 CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-17 WO claimed
US-20050245536-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-03 US claimed
EP-3634961-B1 (4-(([1,2,4]TRIAZOLO[4,3-A]PYRIDINE-6-YL)OXY)-1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)UREIDO DERIVATIVES AS ANTI-INFLAMMATORY P38 MAPK INHIBITORS FOR TREATING DISEASES OF THE RESPIRATORY TRACT CHIESI FARM SPA (IT) 2021-05-26 EP disclosed
US-10364245-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2019-07-30 US disclosed
US-20180354945-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-12-13 US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 US disclosed
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 US disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-7214802-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-08 US disclosed
US-7214802-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-08 US disclosed
EP-1745036-A2 CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-01-24 EP disclosed
EP-1725544-A1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-11-29 EP disclosed
US-20060079519-A1 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-04-13 US disclosed
WO-2005108387-A2 CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-17 WO disclosed
US-20050245536-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-03 US disclosed
WO-2005090333-A1 3-‘4-HETEROCYCLYL -1,2,3,-TRIAZOL-1-YL!-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 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 (6 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-20180354945-A1 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K6 POLB 1467/4885MAPT 3130/4885ALDH1A1 1830/4885
US-10364245-B2 Kinase inhibitors MAPK1, MAP3K1, MAP3K6 POLB 1467/4885MAPT 3130/4885ALDH1A1 1830/4885
US-20050245536-A1 Cytokine inhibitors IL1B, TNF, IL1A POLB 2199/4885MAPT 3169/4885ALDH1A1 297/4885
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 POLB 3911/4885MAPT 710/4885ALDH1A1 511/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 POLB 3788/4885MAPT 765/4885ALDH1A1 458/4885
US-20060079519-A1 Anti-cytokine heterocyclic compounds TNF, IL6, IL1A POLB 1697/4885MAPT 3851/4885ALDH1A1 278/4885

“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.