SCHEMBL846574

SCHEMBL846574

Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Br

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.65
HDAC6 Q9UBN7 1/20 0.62
LCK P06239 4/20 0.59
CSF1R P07333 4/20 0.59
MAPK14 Q16539 2/20 0.59
EGFR P00533 1/20 0.59
KDR P35968 1/20 0.59
ERBB4 Q15303 1/20 0.59
ALDH1A1 P00352 2/20 0.58
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
ABL1 P00519 4/20 0.58
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
BCR P11274 2/20 0.56
KIT P10721 5/20 0.55
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55
HTR2A P28223 1/20 0.55
DDR2 Q16832 1/20 0.55

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
SCHEMBL15381992 0.90 BTK (0.69) BTKHDAC6LCKCSF1RMAPK14
SCHEMBL17936182 0.86 KIT (0.66) BTKHDAC6LCKCSF1RMAPK14
SCHEMBL846560 0.86 BTK (0.65) BTKHDAC6LCKCSF1RMAPK14
SCHEMBL31436860 0.86 BTK (0.65) BTKHDAC6LCKCSF1RMAPK14
SCHEMBL30080653 0.86 KIT (0.66) BTKHDAC6LCKCSF1RMAPK14
SCHEMBL27783267 0.86 BTK (0.62) BTKHDAC6LCKCSF1RMAPK14
SCHEMBL3718596 0.85 BTK (0.64) BTKHDAC6LCKCSF1RMAPK14
SCHEMBL3721655 0.85 BTK (0.64) BTKHDAC6LCKCSF1RMAPK14
SCHEMBL21400972 0.85 NPC1 (0.79) BTKHDAC6LCKCSF1RMAPK14
SCHEMBL4006161 0.84 BTK (0.63) BTKHDAC6LCKCSF1RMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3333162-A1 METOD FOR PREPARING N-(2-METHYL-5-NITROPHENYL)-4-(PYRIDIN-3-YL)PYRIMIDIN-2-AMINE Silesian Catalysts sp. z o.o. (PL) 2018-06-13 EP disclosed
US-9573928-B2 N-phenyl-2-pyrimidine-amine derivatives NOVARTIS AG (CH) 2017-02-21 US disclosed
CN-104230884-B Imatinib intermediate and its preparation method 北大方正集团有限公司 2016-06-08 CN disclosed
CN-102382100-B Preparation method of imatinib SHANGHAI SUNRISE PHARMACEUTICAL CO LTD 2014-04-16 CN disclosed
US-8609842-B2 Method for synthesizing Imatinib FUJIAN SOUTH PHARMACEUTICAL CO., LTD. (CN) 2013-12-17 US disclosed
EP-2248807-B1 N-phenyl-2-pyrimidine-amine derivatives NOVARTIS AG (CH) 2013-07-03 EP disclosed
CN-101735196-B Method for synthesizing Imatinib FUJIAN SOUTH PHARMACEUTICAL CO LTD 2013-03-20 CN disclosed
WO-2013035102-A1 PROCESSES FOR THE PREPARATION OF IMATINIB BASE AND INTERMEDIATES THEREOF NATCO PHARMA LIMITED (IN) 2013-03-14 WO disclosed
WO-2013035102-A1 PROCESSES FOR THE PREPARATION OF IMATINIB BASE AND INTERMEDIATES THEREOF NATCO PHARMA LIMITED (IN) 2013-03-14 WO disclosed
US-20130041149-A1 New Method for Synthesizing Imatinib FUJIAN SOUTH PHARMACEUTICAL CO., LTD. (CN) 2013-02-14 US disclosed
US-20070293683-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES LOISELEUR OLIVIER 2007-12-20 US disclosed
US-20070293673-A1 reacting an intermediate with a compound R14-H, where in R14 is methylpiperazine or salt; 4-(4-methyl-piperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide; antitumor tyrosine kinase inhibitor NOVARTIS AG (CH) 2007-12-20 US disclosed
CN-100347162-C N-phenyl-2-pyrimidinamine derivatives NOVARTIS AG (CH) 2007-11-07 CN disclosed
EP-1833815-A2 A PROCESS FOR PREPARATION OF IMATINIB BASE INSTYTUT FARMACEUTYCZNY (PL) 2007-09-19 EP disclosed
CN-101016293-A Preparing method of imatinib HANGZHOU SHENGMEI MEDICINE TEC (CN) 2007-08-15 CN disclosed
CN-101016262-A N-phenyl-2-pyrimidine-amine derivatives NOVARTIS AG (CH) 2007-08-15 CN disclosed
WO-2006071130-A2 A PROCESS FOR PREPARATION OF IMATINIB BASE INSTYTUT FARMACEUTYCZNY (PL) 2006-07-06 WO disclosed
US-20060149061-A1 Novel process for preparing Imatinib PERRIGO API LTD. (IL) 2006-07-06 US disclosed
US-20060142580-A1 an N-phenyl-4-(4-methyl-piperazin-1-ylmethyl)-benzamide claimed intermediate easily prepared by amidation of the aniline and the benzoic acid; reaction with a 2-aminopyrimidine to produce antitumor tyrosine kinase inhibitor NOVARTIS AG (CH) 2006-06-29 US disclosed
CN-1630648-A N-phenyl-2-pyrimidinamine derivatives NOVARTIS AG (CH) 2005-06-22 CN 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-20070293673-A1 reacting an intermediate with a compound R14-H, where in R14 is methylpiperazine or salt; 4-(4-methyl-piperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide; antitumor tyrosine kinase inhibitor ERBB4, ABL1, MAP4K4 BTK 88/4885HDAC6 300/4885LCK 40/4885
US-20070293683-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES NME2, PNP, NUDT1 BTK 2491/4885HDAC6 1369/4885LCK 1001/4885
US-20060142580-A1 an N-phenyl-4-(4-methyl-piperazin-1-ylmethyl)-benzamide claimed intermediate easily prepared by amidation of the aniline and the benzoic acid; reaction with a 2-aminopyrimidine to produce antitumor tyrosine kinase inhibitor ERBB2, ABL1, ABL2 BTK 83/4885HDAC6 524/4885LCK 185/4885
US-20130041149-A1 New Method for Synthesizing Imatinib ABL1, ALK, PDGFRA BTK 28/4885HDAC6 1360/4885LCK 53/4885
US-20060149061-A1 Novel process for preparing Imatinib ABL1, ABL2, PDGFRA BTK 283/4885HDAC6 3008/4885LCK 14/4885

“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.